1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane

C193H400F26O2 — CID 160894567

About 1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane

1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane (PubChem CID 160894567) has the molecular formula C193H400F26O2 and a molecular weight of 3247.27 g/mol. Its IUPAC name is 1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

• Compound Name: 1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane
• PubChem CID: 160894567
• Molecular Formula: C193H400F26O2
• Molecular Weight: 3247.27 g/mol
• Exact Mass: 3245.08
• IUPAC Name: 1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane
• SMILES: C#CCC(C)C.C#CCCC(C)C.C=C(C)CC(C)C.C=CC(F)(F)CC(C)C.C=CCC(C)C.C=CCC(F)(F)CC(C)C.C=CCCC(C)C.C=CCCCC(C)C.CC(C)C.CC(C)C(C)C.CC(C)C(F)(F)F.CC(C)CC(C)(F)F.CC(C)CC(C)C.CC(C)CC(F)(F)F.CC(C)CC(F)F.CC(C)CC=C(F)F.CC(C)CCC(C)(F)F.CC(C)CCC(C)C.CC(C)CCC(F)(F)F.CC(C)CCCC(F)(F)F.CCC.CCC(C)C.CCC(C)C(C)C.CCC(F)(F)C(C)C.CCCC(C)C.CCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCCC(C)C.COCC(C)C.COCCC(C)C
• InChI: InChI=1S/C8H14F2.2C8H18.C8H16.C7H13F3.C7H14F2.C7H12F2.C7H16.C7H14.3C7H16.C7H14.C7H12.C6H11F3.C6H12F2.C6H10F2.C6H12F2.C6H14O.3C6H14.C6H12.C6H10.C5H9F3.C5H10F2.C5H12O.C5H12.C4H7F3.C4H10.C3H8/c1-4-5-8(9,10)6-7(2)3;1-7(2)5-6-8(3)4;2*1-4-5-6-7-8(2)3;1-6(2)4-3-5-7(8,9)10;1-6(2)4-5-7(3,8)9;1-4-7(8,9)5-6(2)3;2*1-6(2)5-7(3)4;1-5-7(4)6(2)3;4*1-4-5-6-7(2)3;1-5(2)3-4-6(7,8)9;1-5(2)4-6(3,7)8;1-5(2)3-4-6(7)8;1-4-6(7,8)5(2)3;1-6(2)4-5-7-3;1-5(2)6(3)4;4*1-4-5-6(2)3;1-4(2)3-5(6,7)8;1-4(2)3-5(6)7;1-5(2)4-6-3;1-4-5(2)3;1-3(2)4(5,6)7;1-4(2)3;1-3-2/h4,7H,1,5-6H2,2-3H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;4,8H,1,5-7H2,2-3H3;6H,3-5H2,1-2H3;6H,4-5H2,1-3H3;4,6H,1,5H2,2-3H3;6-7H,5H2,1-4H3;7H,1,5H2,2-4H3;6-7H,5H2,1-4H3;2*7H,4-6H2,1-3H3;4,7H,1,5-6H2,2-3H3;1,7H,5-6H2,2-3H3;5H,3-4H2,1-2H3;5H,4H2,1-3H3;4-5H,3H2,1-2H3;5H,4H2,1-3H3;6H,4-5H2,1-3H3;5-6H,1-4H3;2*6H,4-5H2,1-3H3;4,6H,1,5H2,2-3H3;1,6H,5H2,2-3H3;4H,3H2,1-2H3;4-5H,3H2,1-2H3;5H,4H2,1-3H3;5H,4H2,1-3H3;3H,1-2H3;4H,1-3H3;3H2,1-2H3
• InChIKey: SORWRSOSXXDNHM-UHFFFAOYSA-N
• XLogP: 77.60
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 66
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3247.27
LogP ≤ 5	77.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane?

The IUPAC name of 1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane (CID 160894567) is 1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane.

What is the SMILES notation for 1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane?

The canonical SMILES for 1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane is C#CCC(C)C.C#CCCC(C)C.C=C(C)CC(C)C.C=CC(F)(F)CC(C)C.C=CCC(C)C.C=CCC(F)(F)CC(C)C.C=CCCC(C)C.C=CCCCC(C)C.CC(C)C.CC(C)C(C)C.CC(C)C(F)(F)F.CC(C)CC(C)(F)F.CC(C)CC(C)C.CC(C)CC(F)(F)F.CC(C)CC(F)F.CC(C)CC=C(F)F.CC(C)CCC(C)(F)F.CC(C)CCC(C)C.CC(C)CCC(F)(F)F.CC(C)CCCC(F)(F)F.CCC.CCC(C)C.CCC(C)C(C)C.CCC(F)(F)C(C)C.CCCC(C)C.CCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCCC(C)C.COCC(C)C.COCCC(C)C.

What is the InChIKey of 1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane?

The InChIKey is SORWRSOSXXDNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2.2C8H18.C8H16.C7H13F3.C7H14F2.C7H12F2.C7H16.C7H14.3C7H16.C7H14.C7H12.C6H11F3.C6H12F2.C6H10F2.C6H12F2.C6H14O.3C6H14.C6H12.C6H10.C5H9F3.C5H10F2.C5H12O.C5H12.C4H7F3.C4H10.C3H8/c1-4-5-8(9,10)6-7(2)3;1-7(2)5-6-8(3)4;2*1-4-5-6-7-8(2)3;1-6(2)4-3-5-7(8,9)10;1-6(2)4-5-7(3,8)9;1-4-7(8,9)5-6(2)3;2*1-6(2)5-7(3)4;1-5-7(4)6(2)3;4*1-4-5-6-7(2)3;1-5(2)3-4-6(7,8)9;1-5(2)4-6(3,7)8;1-5(2)3-4-6(7)8;1-4-6(7,8)5(2)3;1-6(2)4-5-7-3;1-5(2)6(3)4;4*1-4-5-6(2)3;1-4(2)3-5(6,7)8;1-4(2)3-5(6)7;1-5(2)4-6-3;1-4-5(2)3;1-3(2)4(5,6)7;1-4(2)3;1-3-2/h4,7H,1,5-6H2,2-3H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;4,8H,1,5-7H2,2-3H3;6H,3-5H2,1-2H3;6H,4-5H2,1-3H3;4,6H,1,5H2,2-3H3;6-7H,5H2,1-4H3;7H,1,5H2,2-4H3;6-7H,5H2,1-4H3;2*7H,4-6H2,1-3H3;4,7H,1,5-6H2,2-3H3;1,7H,5-6H2,2-3H3;5H,3-4H2,1-2H3;5H,4H2,1-3H3;4-5H,3H2,1-2H3;5H,4H2,1-3H3;6H,4-5H2,1-3H3;5-6H,1-4H3;2*6H,4-5H2,1-3H3;4,6H,1,5H2,2-3H3;1,6H,5H2,2-3H3;4H,3H2,1-2H3;4-5H,3H2,1-2H3;5H,4H2,1-3H3;5H,4H2,1-3H3;3H,1-2H3;4H,1-3H3;3H2,1-2H3.

What are the key properties of 1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane?

1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane has a molecular weight of 3247.27 g/mol, XLogP of 77.60, 66 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-3-methylbutane;4,4-difluoro-6-methylhept-1-ene;2,2-difluoro-5-methylhexane;3,3-difluoro-5-methylhex-1-ene;2,2-difluoro-4-methylpentane;3,3-difluoro-2-methylpentane;1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,5-dimethylhexane;2,3-dimethylpentane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;5-methylhex-1-yne;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;propane;1,1,1-trifluoro-3-methylbutane;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 160894567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).