(4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane

C79H166F8 — CID 164949664

IUPAC(4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane
SMILESCC(C)C(C)(F)C(C)C.CCC(C)(CC)[C@@](C)(F)CC.CCC(CC)[C@@](C)(F)CC.CCCC(C)(F)CCC.CCC[C@](C)(F)C(C(C)C)C(C)C.CCC[C@](C)(F)C(C)(CC)CC.CCC[C@](C)(F)C(CC)CC.CC[C@](C)(F)C(C(C)C)C(C)C
InChIInChI=1S/C12H25F.2C11H23F.2C10H21F.C9H19F.2C8H17F/c1-7-8-12(6,13)11(9(2)3)10(4)5;1-7-11(6,12)10(8(2)3)9(4)5;1-6-9-11(5,12)10(4,7-2)8-3;1-6-9(4,7-2)10(5,11)8-3;1-5-8-10(4,11)9(6-2)7-3;1-5-8(6-2)9(4,10)7-3;1-6(2)8(5,9)7(3)4;1-4-6-8(3,9)7-5-2/h9-11H,7-8H2,1-6H3;8-10H,7H2,1-6H3;6-9H2,1-5H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;6-7H,1-5H3;4-7H2,1-3H3/t12-;2*11-;2*10-;9-;;/m000000../s1
InChIKeyAIUWBZBXIKENBD-KCHQUYIWSA-N
MW1268.18 g/mol
LogP30.64
Rot. Bonds33

About (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane

(4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane (PubChem CID 164949664) has the molecular formula C79H166F8 and a molecular weight of 1268.18 g/mol. Its IUPAC name is (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane.

Molecular Properties

Compound Name(4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane
PubChem CID164949664
Molecular FormulaC79H166F8
Molecular Weight1268.18 g/mol
Exact Mass1267.29
IUPAC Name(4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane
SMILESCC(C)C(C)(F)C(C)C.CCC(C)(CC)[C@@](C)(F)CC.CCC(CC)[C@@](C)(F)CC.CCCC(C)(F)CCC.CCC[C@](C)(F)C(C(C)C)C(C)C.CCC[C@](C)(F)C(C)(CC)CC.CCC[C@](C)(F)C(CC)CC.CC[C@](C)(F)C(C(C)C)C(C)C
InChIInChI=1S/C12H25F.2C11H23F.2C10H21F.C9H19F.2C8H17F/c1-7-8-12(6,13)11(9(2)3)10(4)5;1-7-11(6,12)10(8(2)3)9(4)5;1-6-9-11(5,12)10(4,7-2)8-3;1-6-9(4,7-2)10(5,11)8-3;1-5-8-10(4,11)9(6-2)7-3;1-5-8(6-2)9(4,10)7-3;1-6(2)8(5,9)7(3)4;1-4-6-8(3,9)7-5-2/h9-11H,7-8H2,1-6H3;8-10H,7H2,1-6H3;6-9H2,1-5H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;6-7H,1-5H3;4-7H2,1-3H3/t12-;2*11-;2*10-;9-;;/m000000../s1
InChIKeyAIUWBZBXIKENBD-KCHQUYIWSA-N
XLogP30.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001268.18
LogP ≤ 530.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane?
The IUPAC name of (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane (CID 164949664) is (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane.
What is the SMILES notation for (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane?
The canonical SMILES for (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane is CC(C)C(C)(F)C(C)C.CCC(C)(CC)[C@@](C)(F)CC.CCC(CC)[C@@](C)(F)CC.CCCC(C)(F)CCC.CCC[C@](C)(F)C(C(C)C)C(C)C.CCC[C@](C)(F)C(C)(CC)CC.CCC[C@](C)(F)C(CC)CC.CC[C@](C)(F)C(C(C)C)C(C)C.
What is the InChIKey of (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane?
The InChIKey is AIUWBZBXIKENBD-KCHQUYIWSA-N. The full InChI is InChI=1S/C12H25F.2C11H23F.2C10H21F.C9H19F.2C8H17F/c1-7-8-12(6,13)11(9(2)3)10(4)5;1-7-11(6,12)10(8(2)3)9(4)5;1-6-9-11(5,12)10(4,7-2)8-3;1-6-9(4,7-2)10(5,11)8-3;1-5-8-10(4,11)9(6-2)7-3;1-5-8(6-2)9(4,10)7-3;1-6(2)8(5,9)7(3)4;1-4-6-8(3,9)7-5-2/h9-11H,7-8H2,1-6H3;8-10H,7H2,1-6H3;6-9H2,1-5H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;6-7H,1-5H3;4-7H2,1-3H3/t12-;2*11-;2*10-;9-;;/m000000../s1.
What are the key properties of (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane?
(4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane has a molecular weight of 1268.18 g/mol, XLogP of 30.64, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane is sourced from PubChem (CID 164949664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).