[(3S,4R)-3,4-difluorocyclopentyl]methanol

C6H10F2O — CID 59151239

IUPAC[(3S,4R)-3,4-difluorocyclopentyl]methanol
SMILESOCC1C[C@@H](F)[C@@H](F)C1
InChIInChI=1S/C6H10F2O/c7-5-1-4(3-9)2-6(5)8/h4-6,9H,1-3H2/t4?,5-,6+
InChIKeyXWOKUVQCAHEQNX-GOHHTPAQSA-N
MW136.14 g/mol
LogP1.06
Rot. Bonds1

About [(3S,4R)-3,4-difluorocyclopentyl]methanol

[(3S,4R)-3,4-difluorocyclopentyl]methanol (PubChem CID 59151239) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is [(3S,4R)-3,4-difluorocyclopentyl]methanol.

Molecular Properties

Compound Name[(3S,4R)-3,4-difluorocyclopentyl]methanol
PubChem CID59151239
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name[(3S,4R)-3,4-difluorocyclopentyl]methanol
SMILESOCC1C[C@@H](F)[C@@H](F)C1
InChIInChI=1S/C6H10F2O/c7-5-1-4(3-9)2-6(5)8/h4-6,9H,1-3H2/t4?,5-,6+
InChIKeyXWOKUVQCAHEQNX-GOHHTPAQSA-N
XLogP1.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopentanemethanol
CID 77195
Cyclopentaneethanol
CID 69833
(3,3-Difluorocyclopentyl)methanol
CID 59340973
1-Cyclopentyl-2,2,2-trifluoroethan-1-ol
CID 62070207
(1R)-3,3-Difluorocyclopentanemethanol
CID 72208028
2-Cyclopentyl-2-fluoroethan-1-ol
CID 84020601
(2,2-Difluorocyclopentyl)methanol
CID 84020623
3-(Trifluoromethyl)cyclopentan-1-ol
CID 84020902
rac-[(1R,2R)-2-(trifluoromethyl)cyclopentyl]methanol
CID 137952372
2-(2,2-Difluorocyclopentyl)ethan-1-ol
CID 84020823
2-(Trifluoromethyl)hexan-1-ol
CID 10261518
(2H-Octafluorocyclopentyl)methanol, 97%
CID 15129191

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3,4-difluorocyclopentyl]methanol?
The IUPAC name of [(3S,4R)-3,4-difluorocyclopentyl]methanol (CID 59151239) is [(3S,4R)-3,4-difluorocyclopentyl]methanol.
What is the SMILES notation for [(3S,4R)-3,4-difluorocyclopentyl]methanol?
The canonical SMILES for [(3S,4R)-3,4-difluorocyclopentyl]methanol is OCC1C[C@@H](F)[C@@H](F)C1.
What is the InChIKey of [(3S,4R)-3,4-difluorocyclopentyl]methanol?
The InChIKey is XWOKUVQCAHEQNX-GOHHTPAQSA-N. The full InChI is InChI=1S/C6H10F2O/c7-5-1-4(3-9)2-6(5)8/h4-6,9H,1-3H2/t4?,5-,6+.
What are the key properties of [(3S,4R)-3,4-difluorocyclopentyl]methanol?
[(3S,4R)-3,4-difluorocyclopentyl]methanol has a molecular weight of 136.14 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3,4-difluorocyclopentyl]methanol is sourced from PubChem (CID 59151239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).