1-(2-ethylcyclopentyl)-2,2-difluoroethanol

C9H16F2O — CID 153329639

IUPAC1-(2-ethylcyclopentyl)-2,2-difluoroethanol
SMILESCCC1CCCC1C(O)C(F)F
InChIInChI=1S/C9H16F2O/c1-2-6-4-3-5-7(6)8(12)9(10)11/h6-9,12H,2-5H2,1H3
InChIKeyIDXFDVRQWOTQKB-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.44
Rot. Bonds3

About 1-(2-ethylcyclopentyl)-2,2-difluoroethanol

1-(2-ethylcyclopentyl)-2,2-difluoroethanol (PubChem CID 153329639) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1-(2-ethylcyclopentyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(2-ethylcyclopentyl)-2,2-difluoroethanol
PubChem CID153329639
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1-(2-ethylcyclopentyl)-2,2-difluoroethanol
SMILESCCC1CCCC1C(O)C(F)F
InChIInChI=1S/C9H16F2O/c1-2-6-4-3-5-7(6)8(12)9(10)11/h6-9,12H,2-5H2,1H3
InChIKeyIDXFDVRQWOTQKB-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-ethylcyclopentyl)-2,2-difluoroethanol 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

ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol
CID 153329638
cyclopropyl-(2-ethylcyclohexyl)methanol
CID 63861825
1-(2-ethylcyclohexyl)-2-methylpentan-1-ol
CID 63899778
6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol
CID 115801700
1-[(2S)-butan-2-yl]-2-ethylcyclopentane
CID 146934548
1-butan-2-yl-2-ethylcyclopentane
CID 91358263
1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol
CID 155261716
(2-ethylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65420824
2-ethyl-6-propan-2-ylcyclohexan-1-ol
CID 58534394
1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol
CID 103448588
ethane;2-ethylcyclopentan-1-ol
CID 144624771
(R)-(2-ethylcyclopentyl)-(2-methylphenyl)methanol
CID 59207149

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclopentyl)-2,2-difluoroethanol?
The IUPAC name of 1-(2-ethylcyclopentyl)-2,2-difluoroethanol (CID 153329639) is 1-(2-ethylcyclopentyl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(2-ethylcyclopentyl)-2,2-difluoroethanol?
The canonical SMILES for 1-(2-ethylcyclopentyl)-2,2-difluoroethanol is CCC1CCCC1C(O)C(F)F.
What is the InChIKey of 1-(2-ethylcyclopentyl)-2,2-difluoroethanol?
The InChIKey is IDXFDVRQWOTQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-2-6-4-3-5-7(6)8(12)9(10)11/h6-9,12H,2-5H2,1H3.
What are the key properties of 1-(2-ethylcyclopentyl)-2,2-difluoroethanol?
1-(2-ethylcyclopentyl)-2,2-difluoroethanol has a molecular weight of 178.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclopentyl)-2,2-difluoroethanol is sourced from PubChem (CID 153329639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).