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

C68H144F8 — CID 163907655

IUPAC(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane
SMILESCCC(C)(CC)[C@@](C)(F)CC.CCC(C)(F)CC.CCC(CC)[C@@](C)(F)CC.CCCC(C)(F)CCC.CCC[C@@](C)(F)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/C11H23F.2C10H21F.C9H19F.C8H17F.2C7H15F.C6H13F/c1-7-11(6,12)10(8(2)3)9(4)5;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/h8-10H,7H2,1-6H3;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/t11-;2*10-;9-;;2*7-;/m0000.00./s1
InChIKeyQPJJAINXEXGORT-WSCNRGMFSA-N
MW1113.88 g/mol
LogP27.07
Rot. Bonds28

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

(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane (PubChem CID 163907655) has the molecular formula C68H144F8 and a molecular weight of 1113.88 g/mol. Its IUPAC name is (4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane.

Molecular Properties

Compound Name(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane
PubChem CID163907655
Molecular FormulaC68H144F8
Molecular Weight1113.88 g/mol
Exact Mass1113.11
IUPAC Name(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane
SMILESCCC(C)(CC)[C@@](C)(F)CC.CCC(C)(F)CC.CCC(CC)[C@@](C)(F)CC.CCCC(C)(F)CCC.CCC[C@@](C)(F)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/C11H23F.2C10H21F.C9H19F.C8H17F.2C7H15F.C6H13F/c1-7-11(6,12)10(8(2)3)9(4)5;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/h8-10H,7H2,1-6H3;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/t11-;2*10-;9-;;2*7-;/m0000.00./s1
InChIKeyQPJJAINXEXGORT-WSCNRGMFSA-N
XLogP27.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001113.88
LogP ≤ 527.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Launch Full Analysis

Related Compounds

(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
3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane
CID 165078400
(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
3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;4-ethyl-3-fluoro-2,3-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-ethyl-3-fluoro-2,3,4-trimethylhexane;4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;3-fluoro-2,3,4-trimethylpentane
CID 163557932
(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252
3,5-diethyl-4-fluoro-4-methylheptane;3,5-diethyl-4-fluoro-3,4,5-trimethylheptane;2,2-dimethylpropane;3-fluoro-2,3-dimethylpentane;1-fluoro-1-methylcyclohexane;4-fluoro-4-methylheptane;1-fluoro-1,4,4-trimethylcyclohexane;4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)heptane;3-fluoro-2,3,4-trimethylpentane;3-methyl-3-(trifluoromethyl)pentane;2,3,4-trimethyl-3-(trifluoromethyl)pentane
CID 167577471
3,6-difluoro-2,3,6-trimethyloctane
CID 167073987
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;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylheptane;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;(3S)-3-fluoro-2,3,5-trimethyl-4-propan-2-ylhexane
CID 167634531
(4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane
CID 167052231
(6S)-3-ethyl-6-fluoro-4,6-dimethylnonane
CID 170941312
(4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane
CID 156674441
3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680

Frequently Asked Questions

What is the IUPAC name of (4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane?
The IUPAC name of (4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane (CID 163907655) is (4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane.
What is the SMILES notation for (4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane?
The canonical SMILES for (4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane is CCC(C)(CC)[C@@](C)(F)CC.CCC(C)(F)CC.CCC(CC)[C@@](C)(F)CC.CCCC(C)(F)CCC.CCC[C@@](C)(F)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-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane?
The InChIKey is QPJJAINXEXGORT-WSCNRGMFSA-N. The full InChI is InChI=1S/C11H23F.2C10H21F.C9H19F.C8H17F.2C7H15F.C6H13F/c1-7-11(6,12)10(8(2)3)9(4)5;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/h8-10H,7H2,1-6H3;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/t11-;2*10-;9-;;2*7-;/m0000.00./s1.
What are the key properties of (4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane?
(4S)-3-ethyl-4-fluoro-3,4-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane has a molecular weight of 1113.88 g/mol, XLogP of 27.07, 28 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-dimethylhexane;(4S)-3-ethyl-4-fluoro-4-methylheptane;(3S)-4-ethyl-3-fluoro-3-methylhexane;(3S)-3-fluoro-2,3-dimethylpentane;(4S)-4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;4-fluoro-4-methylheptane;(3S)-3-fluoro-3-methylhexane;3-fluoro-3-methylpentane is sourced from PubChem (CID 163907655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).