3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane

C97H197F9 — CID 163897085

About 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane

3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane (PubChem CID 163897085) has the molecular formula C97H197F9 and a molecular weight of 1534.62 g/mol. Its IUPAC name is 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane.

Molecular Properties

• Compound Name: 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane
• PubChem CID: 163897085
• Molecular Formula: C97H197F9
• Molecular Weight: 1534.62 g/mol
• Exact Mass: 1533.53
• IUPAC Name: 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane
• SMILES: CC(C)C(C(C)C)C(C)(F)C(C(C)C)C(C)C.CC(C)C(C(C)C)[C@@](C)(F)C(C)C.CC1(C)CCC(C)(F)CC1.CC1(F)CCCC1.CC1(F)CCCCC1.CCC(C)(CC)C(C)(F)C(C)(CC)CC.CCC(C)(CC)[C@@](C)(F)C(C)C.CCC(CC)C(C)(F)C(CC)CC.CCC(CC)[C@@](C)(F)C(C)C
• InChI: InChI=1S/C16H33F.C14H29F.2C12H25F.C11H23F.C10H21F.C9H17F.C7H13F.C6H11F/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;1-8(2)11(9(3)4)12(7,13)10(5)6;1-6-10(7-2)12(5,13)11(8-3)9-4;1-7-10(5,8-2)11(6,12)9(3)4;1-6-9(7-2)10(5,11)8(3)4;1-8(2)4-6-9(3,10)7-5-8;1-7(8)5-3-2-4-6-7;1-6(7)4-2-3-5-6/h10-15H,1-9H3;8-11H2,1-7H3;8-11H,1-7H3;10-11H,6-9H2,1-5H3;9H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3;4-7H2,1-3H3;2-6H2,1H3;2-5H2,1H3/t;;12-;;11-;10-;;;/m..0.00.../s1
• InChIKey: QGPFIBVWZGQRTL-GVRXEJKVSA-N
• XLogP: 36.11
• TPSA: 0.00 Ų
• Rotatable Bonds: 30
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1534.62
LogP ≤ 5	36.11
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;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane?

The IUPAC name of 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane (CID 163897085) is 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane.

What is the SMILES notation for 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane?

The canonical SMILES for 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane is CC(C)C(C(C)C)C(C)(F)C(C(C)C)C(C)C.CC(C)C(C(C)C)[C@@](C)(F)C(C)C.CC1(C)CCC(C)(F)CC1.CC1(F)CCCC1.CC1(F)CCCCC1.CCC(C)(CC)C(C)(F)C(C)(CC)CC.CCC(C)(CC)[C@@](C)(F)C(C)C.CCC(CC)C(C)(F)C(CC)CC.CCC(CC)[C@@](C)(F)C(C)C.

What is the InChIKey of 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane?

The InChIKey is QGPFIBVWZGQRTL-GVRXEJKVSA-N. The full InChI is InChI=1S/C16H33F.C14H29F.2C12H25F.C11H23F.C10H21F.C9H17F.C7H13F.C6H11F/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;1-8(2)11(9(3)4)12(7,13)10(5)6;1-6-10(7-2)12(5,13)11(8-3)9-4;1-7-10(5,8-2)11(6,12)9(3)4;1-6-9(7-2)10(5,11)8(3)4;1-8(2)4-6-9(3,10)7-5-8;1-7(8)5-3-2-4-6-7;1-6(7)4-2-3-5-6/h10-15H,1-9H3;8-11H2,1-7H3;8-11H,1-7H3;10-11H,6-9H2,1-5H3;9H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3;4-7H2,1-3H3;2-6H2,1H3;2-5H2,1H3/t;;12-;;11-;10-;;;/m..0.00.../s1.

What are the key properties of 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane?

3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane has a molecular weight of 1534.62 g/mol, XLogP of 36.11, 30 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;(3S)-4-ethyl-3-fluoro-2,3-dimethylhexane;(3S)-4-ethyl-3-fluoro-2,3,4-trimethylhexane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane is sourced from PubChem (CID 163897085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).