3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane

C96H197F9 — CID 163431133

IUPAC3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane
SMILESCC(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.CC(C)C(C)(F)C(C)C.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(C)C.CCC(CC)C(C)(F)C(CC)CC
InChIInChI=1S/C16H33F.C14H29F.2C12H25F.C11H23F.C10H21F.C8H17F.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;1-6(2)8(5,9)7(3)4;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;6-7H,1-5H3;2-6H2,1H3;2-5H2,1H3
InChIKeyAQOQPJCRHURELQ-UHFFFAOYSA-N
MW1522.61 g/mol
LogP35.82
Rot. Bonds32

About 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;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;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane (PubChem CID 163431133) has the molecular formula C96H197F9 and a molecular weight of 1522.61 g/mol. Its IUPAC name is 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane.

Molecular Properties

Compound Name3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane
PubChem CID163431133
Molecular FormulaC96H197F9
Molecular Weight1522.61 g/mol
Exact Mass1521.53
IUPAC Name3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane
SMILESCC(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.CC(C)C(C)(F)C(C)C.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(C)C.CCC(CC)C(C)(F)C(CC)CC
InChIInChI=1S/C16H33F.C14H29F.2C12H25F.C11H23F.C10H21F.C8H17F.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;1-6(2)8(5,9)7(3)4;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;6-7H,1-5H3;2-6H2,1H3;2-5H2,1H3
InChIKeyAQOQPJCRHURELQ-UHFFFAOYSA-N
XLogP35.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001522.61
LogP ≤ 535.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane with MolForge

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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;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;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;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane (CID 163431133) is 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;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;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;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;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;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.CC(C)C(C)(F)C(C)C.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(C)C.CCC(CC)C(C)(F)C(CC)CC.
What is the InChIKey of 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane?
The InChIKey is AQOQPJCRHURELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F.C14H29F.2C12H25F.C11H23F.C10H21F.C8H17F.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;1-6(2)8(5,9)7(3)4;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;6-7H,1-5H3;2-6H2,1H3;2-5H2,1H3.
What are the key properties of 3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;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;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane has a molecular weight of 1522.61 g/mol, XLogP of 35.82, 32 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;4-ethyl-3-fluoro-2,3-dimethylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;1-fluoro-1-methylcyclohexane;1-fluoro-1-methylcyclopentane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane is sourced from PubChem (CID 163431133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).