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

C101H213F11 — CID 163853771

IUPAC(4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;2-fluoro-2,4-dimethyl-3-propan-2-ylpentane;4-fluoro-4-methylheptane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane
SMILESCC(C)C(C(C)C)C(C)(C)F.CCC(C)(F)C(C)(CC)CC.CCC(C)(F)CC.CCC(CC)C(C)(F)CC.CCCC(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.CC[C@](C)(F)C(C)C
InChIInChI=1S/C12H25F.2C11H23F.3C10H21F.C9H19F.C8H17F.2C7H15F.C6H13F/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;1-7(2)9(8(3)4)10(5,6)11;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;1-4-6-8(3,9)7-5-2;1-5-7(4,8)6(2)3;1-4-6-7(3,8)5-2;1-4-6(3,7)5-2/h9-11H,7-8H2,1-6H3;8-10H,7H2,1-6H3;6-9H2,1-5H3;7-9H,1-6H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;4-7H2,1-3H3;6H,5H2,1-4H3;4-6H2,1-3H3;4-5H2,1-3H3/t12-;2*11-;;;10-;;;7-;;/m000..0..0../s1
InChIKeyOWPASUKFKVHDLQ-VJNMPGJSSA-N
MW1636.79 g/mol
LogP39.52
Rot. Bonds41

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

(4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;2-fluoro-2,4-dimethyl-3-propan-2-ylpentane;4-fluoro-4-methylheptane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane (PubChem CID 163853771) has the molecular formula C101H213F11 and a molecular weight of 1636.79 g/mol. Its IUPAC name is (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;2-fluoro-2,4-dimethyl-3-propan-2-ylpentane;4-fluoro-4-methylheptane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane.

Molecular Properties

Compound Name(4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;2-fluoro-2,4-dimethyl-3-propan-2-ylpentane;4-fluoro-4-methylheptane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane
PubChem CID163853771
Molecular FormulaC101H213F11
Molecular Weight1636.79 g/mol
Exact Mass1635.65
IUPAC Name(4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;2-fluoro-2,4-dimethyl-3-propan-2-ylpentane;4-fluoro-4-methylheptane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane
SMILESCC(C)C(C(C)C)C(C)(C)F.CCC(C)(F)C(C)(CC)CC.CCC(C)(F)CC.CCC(CC)C(C)(F)CC.CCCC(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.CC[C@](C)(F)C(C)C
InChIInChI=1S/C12H25F.2C11H23F.3C10H21F.C9H19F.C8H17F.2C7H15F.C6H13F/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;1-7(2)9(8(3)4)10(5,6)11;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;1-4-6-8(3,9)7-5-2;1-5-7(4,8)6(2)3;1-4-6-7(3,8)5-2;1-4-6(3,7)5-2/h9-11H,7-8H2,1-6H3;8-10H,7H2,1-6H3;6-9H2,1-5H3;7-9H,1-6H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;4-7H2,1-3H3;6H,5H2,1-4H3;4-6H2,1-3H3;4-5H2,1-3H3/t12-;2*11-;;;10-;;;7-;;/m000..0..0../s1
InChIKeyOWPASUKFKVHDLQ-VJNMPGJSSA-N
XLogP39.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds41
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001636.79
LogP ≤ 539.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;2-fluoro-2,4-dimethyl-3-propan-2-ylpentane;4-fluoro-4-methylheptane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane?
The IUPAC name of (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;2-fluoro-2,4-dimethyl-3-propan-2-ylpentane;4-fluoro-4-methylheptane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane (CID 163853771) is (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;2-fluoro-2,4-dimethyl-3-propan-2-ylpentane;4-fluoro-4-methylheptane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane.
What is the SMILES notation for (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;2-fluoro-2,4-dimethyl-3-propan-2-ylpentane;4-fluoro-4-methylheptane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane?
The canonical SMILES for (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;2-fluoro-2,4-dimethyl-3-propan-2-ylpentane;4-fluoro-4-methylheptane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane is CC(C)C(C(C)C)C(C)(C)F.CCC(C)(F)C(C)(CC)CC.CCC(C)(F)CC.CCC(CC)C(C)(F)CC.CCCC(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.CC[C@](C)(F)C(C)C.
What is the InChIKey of (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;2-fluoro-2,4-dimethyl-3-propan-2-ylpentane;4-fluoro-4-methylheptane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane?
The InChIKey is OWPASUKFKVHDLQ-VJNMPGJSSA-N. The full InChI is InChI=1S/C12H25F.2C11H23F.3C10H21F.C9H19F.C8H17F.2C7H15F.C6H13F/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;1-7(2)9(8(3)4)10(5,6)11;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;1-4-6-8(3,9)7-5-2;1-5-7(4,8)6(2)3;1-4-6-7(3,8)5-2;1-4-6(3,7)5-2/h9-11H,7-8H2,1-6H3;8-10H,7H2,1-6H3;6-9H2,1-5H3;7-9H,1-6H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;4-7H2,1-3H3;6H,5H2,1-4H3;4-6H2,1-3H3;4-5H2,1-3H3/t12-;2*11-;;;10-;;;7-;;/m000..0..0../s1.
What are the key properties of (4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;2-fluoro-2,4-dimethyl-3-propan-2-ylpentane;4-fluoro-4-methylheptane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane?
(4S)-3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;2-fluoro-2,4-dimethyl-3-propan-2-ylpentane;4-fluoro-4-methylheptane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane has a molecular weight of 1636.79 g/mol, XLogP of 39.52, 41 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;3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;2-fluoro-2,4-dimethyl-3-propan-2-ylpentane;4-fluoro-4-methylheptane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane is sourced from PubChem (CID 163853771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).