trans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol

C11H12F2O — CID 10976443

IUPACtrans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2O/c12-8-4-7(5-9(13)6-8)10-2-1-3-11(10)14/h4-6,10-11,14H,1-3H2/t10-,11+/m1/s1
InChIKeyDGESKOFFHXRBTQ-MNOVXSKESA-N
MW198.21 g/mol
LogP2.59
Rot. Bonds1

About trans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol

trans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol (PubChem CID 10976443) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is trans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol
PubChem CID10976443
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Nametrans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2O/c12-8-4-7(5-9(13)6-8)10-2-1-3-11(10)14/h4-6,10-11,14H,1-3H2/t10-,11+/m1/s1
InChIKeyDGESKOFFHXRBTQ-MNOVXSKESA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol (CID 10976443) is trans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1c1cc(F)cc(F)c1.
What is the InChIKey of trans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol?
The InChIKey is DGESKOFFHXRBTQ-MNOVXSKESA-N. The full InChI is InChI=1S/C11H12F2O/c12-8-4-7(5-9(13)6-8)10-2-1-3-11(10)14/h4-6,10-11,14H,1-3H2/t10-,11+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol?
trans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol has a molecular weight of 198.21 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol is sourced from PubChem (CID 10976443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).