1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane

C77H147F9S — CID 158572180

About 1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane

1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane (PubChem CID 158572180) has the molecular formula C77H147F9S and a molecular weight of 1276.07 g/mol. Its IUPAC name is 1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane.

Molecular Properties

• Compound Name: 1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane
• PubChem CID: 158572180
• Molecular Formula: C77H147F9S
• Molecular Weight: 1276.07 g/mol
• Exact Mass: 1275.11
• IUPAC Name: 1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane
• SMILES: CC(C)C(F)(F)C1CCC1.CC(C)CC1(C)CC1.CC(C)CC1(F)CC1.CC(C)CC1(F)CCC1.CC(C)CC1C=CCC1.CC(C)CC1CC1(F)F.CC(C)CC1CSC1.CC(C)CCC1CCC1.CC(C)CCCC(F)F.CC(C)CCCCF
• InChI: InChI=1S/C9H18.C9H16.C8H14F2.C8H15F.C8H16.C7H12F2.C7H14F2.C7H13F.C7H15F.C7H14S/c1-8(2)6-7-9-4-3-5-9;1-8(2)7-9-5-3-4-6-9;1-6(2)8(9,10)7-4-3-5-7;1-7(2)6-8(9)4-3-5-8;1-7(2)6-8(3)4-5-8;1-5(2)3-6-4-7(6,8)9;1-6(2)4-3-5-7(8)9;1-6(2)5-7(8)3-4-7;1-7(2)5-3-4-6-8;1-6(2)3-7-4-8-5-7/h8-9H,3-7H2,1-2H3;3,5,8-9H,4,6-7H2,1-2H3;6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3;7H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3
• InChIKey: HSFHYOTYJYHFIG-UHFFFAOYSA-N
• XLogP: 28.53
• TPSA: 0.00 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 25
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1276.07
LogP ≤ 5	28.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane?

The IUPAC name of 1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane (CID 158572180) is 1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane.

What is the SMILES notation for 1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane?

The canonical SMILES for 1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane is CC(C)C(F)(F)C1CCC1.CC(C)CC1(C)CC1.CC(C)CC1(F)CC1.CC(C)CC1(F)CCC1.CC(C)CC1C=CCC1.CC(C)CC1CC1(F)F.CC(C)CC1CSC1.CC(C)CCC1CCC1.CC(C)CCCC(F)F.CC(C)CCCCF.

What is the InChIKey of 1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane?

The InChIKey is HSFHYOTYJYHFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C9H16.C8H14F2.C8H15F.C8H16.C7H12F2.C7H14F2.C7H13F.C7H15F.C7H14S/c1-8(2)6-7-9-4-3-5-9;1-8(2)7-9-5-3-4-6-9;1-6(2)8(9,10)7-4-3-5-7;1-7(2)6-8(9)4-3-5-8;1-7(2)6-8(3)4-5-8;1-5(2)3-6-4-7(6,8)9;1-6(2)4-3-5-7(8)9;1-6(2)5-7(8)3-4-7;1-7(2)5-3-4-6-8;1-6(2)3-7-4-8-5-7/h8-9H,3-7H2,1-2H3;3,5,8-9H,4,6-7H2,1-2H3;6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3;7H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3.

What are the key properties of 1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane?

1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane has a molecular weight of 1276.07 g/mol, XLogP of 28.53, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-5-methylhexane;(1,1-difluoro-2-methylpropyl)cyclobutane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-5-methylhexane;1-fluoro-1-(2-methylpropyl)cyclobutane;1-fluoro-1-(2-methylpropyl)cyclopropane;3-methylbutylcyclobutane;1-methyl-1-(2-methylpropyl)cyclopropane;3-(2-methylpropyl)cyclopentene;3-(2-methylpropyl)thietane is sourced from PubChem (CID 158572180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).