3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane

C89H186F6 — CID 159042771

About 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane

3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane (PubChem CID 159042771) has the molecular formula C89H186F6 and a molecular weight of 1370.45 g/mol. Its IUPAC name is 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane.

Molecular Properties

• Compound Name: 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane
• PubChem CID: 159042771
• Molecular Formula: C89H186F6
• Molecular Weight: 1370.45 g/mol
• Exact Mass: 1369.45
• IUPAC Name: 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane
• SMILES: CC(C)(C)C.CC(C)C(C(C)C)C(C)(F)C(C(C)C)C(C)C.CC(C)C(C)(C)C.CC1(C)CCC(C)(F)CC1.CC1(F)CCCC1.CC1(F)CCCCC1.CCC(C)(C)C.CCC(C)(CC)C(C)(F)C(C)(CC)CC.CCC(CC)C(C)(F)C(CC)CC.CCCC(C)(C)C
• InChI: InChI=1S/C16H33F.C14H29F.C12H25F.C9H17F.C7H13F.2C7H16.C6H11F.C6H14.C5H12/c1-10(2)14(11(3)4)16(9,17)15(12(5)6)13(7)8;1-8-12(5,9-2)14(7,15)13(6,10-3)11-4;1-6-10(7-2)12(5,13)11(8-3)9-4;1-8(2)4-6-9(3,10)7-5-8;1-7(8)5-3-2-4-6-7;1-6(2)7(3,4)5;1-5-6-7(2,3)4;1-6(7)4-2-3-5-6;1-5-6(2,3)4;1-5(2,3)4/h10-15H,1-9H3;8-11H2,1-7H3;10-11H,6-9H2,1-5H3;4-7H2,1-3H3;2-6H2,1H3;6H,1-5H3;5-6H2,1-4H3;2-5H2,1H3;5H2,1-4H3;1-4H3
• InChIKey: JWGSZYPSTUEBLB-UHFFFAOYSA-N
• XLogP: 33.82
• TPSA: 0.00 Ų
• Rotatable Bonds: 19
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1370.45
LogP ≤ 5	33.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane?

The IUPAC name of 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane (CID 159042771) is 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane.

What is the SMILES notation for 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane?

The canonical SMILES for 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane is CC(C)(C)C.CC(C)C(C(C)C)C(C)(F)C(C(C)C)C(C)C.CC(C)C(C)(C)C.CC1(C)CCC(C)(F)CC1.CC1(F)CCCC1.CC1(F)CCCCC1.CCC(C)(C)C.CCC(C)(CC)C(C)(F)C(C)(CC)CC.CCC(CC)C(C)(F)C(CC)CC.CCCC(C)(C)C.

What is the InChIKey of 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane?

The InChIKey is JWGSZYPSTUEBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F.C14H29F.C12H25F.C9H17F.C7H13F.2C7H16.C6H11F.C6H14.C5H12/c1-10(2)14(11(3)4)16(9,17)15(12(5)6)13(7)8;1-8-12(5,9-2)14(7,15)13(6,10-3)11-4;1-6-10(7-2)12(5,13)11(8-3)9-4;1-8(2)4-6-9(3,10)7-5-8;1-7(8)5-3-2-4-6-7;1-6(2)7(3,4)5;1-5-6-7(2,3)4;1-6(7)4-2-3-5-6;1-5-6(2,3)4;1-5(2,3)4/h10-15H,1-9H3;8-11H2,1-7H3;10-11H,6-9H2,1-5H3;4-7H2,1-3H3;2-6H2,1H3;6H,1-5H3;5-6H2,1-4H3;2-5H2,1H3;5H2,1-4H3;1-4H3.

What are the key properties of 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane?

3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane has a molecular weight of 1370.45 g/mol, XLogP of 33.82, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylbutane;2,2-dimethylpentane;2,2-dimethylpropane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;2,2,3-trimethylbutane is sourced from PubChem (CID 159042771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).