(4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane

C13H27F — CID 156674441

IUPAC(4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane
SMILESCCC(CC)[C@](C)(F)C(C)(CC)CC
InChIInChI=1S/C13H27F/c1-7-11(8-2)13(6,14)12(5,9-3)10-4/h11H,7-10H2,1-6H3/t13-/m0/s1
InChIKeyJETJHBOMAXAFLU-ZDUSSCGKSA-N
MW202.36 g/mol
LogP4.98
Rot. Bonds6

About (4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane

(4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane (PubChem CID 156674441) has the molecular formula C13H27F and a molecular weight of 202.36 g/mol. Its IUPAC name is (4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane.

Molecular Properties

Compound Name(4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane
PubChem CID156674441
Molecular FormulaC13H27F
Molecular Weight202.36 g/mol
Exact Mass202.21
IUPAC Name(4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane
SMILESCCC(CC)[C@](C)(F)C(C)(CC)CC
InChIInChI=1S/C13H27F/c1-7-11(8-2)13(6,14)12(5,9-3)10-4/h11H,7-10H2,1-6H3/t13-/m0/s1
InChIKeyJETJHBOMAXAFLU-ZDUSSCGKSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane
CID 166589252
3,5-diethyl-4,4-difluoroheptane
CID 137390783
3-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 137421832
3-ethyl-2,2-difluorohexane
CID 155700319
3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680
(4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane
CID 167052231
3-ethyl-4-fluoro-4-methylpentan-1-amine
CID 105429104
4-ethyl-1,1,1-trifluoro-5,5-dimethylheptane-2,2-diol
CID 123178182
2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol
CID 137410444
3-fluoro-3,4-dimethylhexane
CID 153400772
2-(trifluoromethyl)butan-1-amine
CID 10351789
1,2,2-trifluoro-3-(fluoromethyl)pentane
CID 162612958

Frequently Asked Questions

What is the IUPAC name of (4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane?
The IUPAC name of (4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane (CID 156674441) is (4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane.
What is the SMILES notation for (4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane?
The canonical SMILES for (4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane is CCC(CC)[C@](C)(F)C(C)(CC)CC.
What is the InChIKey of (4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane?
The InChIKey is JETJHBOMAXAFLU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H27F/c1-7-11(8-2)13(6,14)12(5,9-3)10-4/h11H,7-10H2,1-6H3/t13-/m0/s1.
What are the key properties of (4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane?
(4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane has a molecular weight of 202.36 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,5-diethyl-4-fluoro-3,4-dimethylheptane is sourced from PubChem (CID 156674441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).