cis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol

C12H14F2O — CID 90074272

IUPACcis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H14F2O/c13-10-5-8(6-11(14)7-10)4-9-2-1-3-12(9)15/h5-7,9,12,15H,1-4H2/t9-,12+/m1/s1
InChIKeyLCNJICCJKBXLSB-SKDRFNHKSA-N
MW212.24 g/mol
LogP2.67
Rot. Bonds2

About cis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol

cis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol (PubChem CID 90074272) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol
PubChem CID90074272
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namecis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H14F2O/c13-10-5-8(6-11(14)7-10)4-9-2-1-3-12(9)15/h5-7,9,12,15H,1-4H2/t9-,12+/m1/s1
InChIKeyLCNJICCJKBXLSB-SKDRFNHKSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol 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 cis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol (CID 90074272) is cis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Cc1cc(F)cc(F)c1.
What is the InChIKey of cis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol?
The InChIKey is LCNJICCJKBXLSB-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H14F2O/c13-10-5-8(6-11(14)7-10)4-9-2-1-3-12(9)15/h5-7,9,12,15H,1-4H2/t9-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol?
cis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol has a molecular weight of 212.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(3,5-difluorophenyl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 90074272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).