(2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane

C16H31F — CID 134357605

IUPAC(2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane
SMILESCCC(F)C(C)C(C)(C)C1CCC(C)[C@@H]1CC
InChIInChI=1S/C16H31F/c1-7-13-11(3)9-10-14(13)16(5,6)12(4)15(17)8-2/h11-15H,7-10H2,1-6H3/t11?,12?,13-,14?,15?/m0/s1
InChIKeyLERPGVXMGJVZIB-NWVVDGJNSA-N
MW242.42 g/mol
LogP5.47
Rot. Bonds5

About (2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane

(2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane (PubChem CID 134357605) has the molecular formula C16H31F and a molecular weight of 242.42 g/mol. Its IUPAC name is (2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane.

Molecular Properties

Compound Name(2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane
PubChem CID134357605
Molecular FormulaC16H31F
Molecular Weight242.42 g/mol
Exact Mass242.24
IUPAC Name(2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane
SMILESCCC(F)C(C)C(C)(C)C1CCC(C)[C@@H]1CC
InChIInChI=1S/C16H31F/c1-7-13-11(3)9-10-14(13)16(5,6)12(4)15(17)8-2/h11-15H,7-10H2,1-6H3/t11?,12?,13-,14?,15?/m0/s1
InChIKeyLERPGVXMGJVZIB-NWVVDGJNSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane?
The IUPAC name of (2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane (CID 134357605) is (2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane.
What is the SMILES notation for (2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane?
The canonical SMILES for (2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane is CCC(F)C(C)C(C)(C)C1CCC(C)[C@@H]1CC.
What is the InChIKey of (2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane?
The InChIKey is LERPGVXMGJVZIB-NWVVDGJNSA-N. The full InChI is InChI=1S/C16H31F/c1-7-13-11(3)9-10-14(13)16(5,6)12(4)15(17)8-2/h11-15H,7-10H2,1-6H3/t11?,12?,13-,14?,15?/m0/s1.
What are the key properties of (2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane?
(2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane has a molecular weight of 242.42 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-1-(4-fluoro-2,3-dimethylhexan-2-yl)-3-methylcyclopentane is sourced from PubChem (CID 134357605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).