(1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol

C7H13FO3 — CID 158007265

IUPAC(1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESOC[C@H]1C[C@H](CF)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H13FO3/c8-2-4-1-5(3-9)7(11)6(4)10/h4-7,9-11H,1-3H2/t4-,5-,6-,7-/m1/s1
InChIKeyFELHFVICLQLHIE-DBRKOABJSA-N
MW164.18 g/mol
LogP-0.69
Rot. Bonds2

About (1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 158007265) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is (1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID158007265
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name(1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESOC[C@H]1C[C@H](CF)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H13FO3/c8-2-4-1-5(3-9)7(11)6(4)10/h4-7,9-11H,1-3H2/t4-,5-,6-,7-/m1/s1
InChIKeyFELHFVICLQLHIE-DBRKOABJSA-N
XLogP-0.69
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol 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 (1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 158007265) is (1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol is OC[C@H]1C[C@H](CF)[C@@H](O)[C@@H]1O.
What is the InChIKey of (1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is FELHFVICLQLHIE-DBRKOABJSA-N. The full InChI is InChI=1S/C7H13FO3/c8-2-4-1-5(3-9)7(11)6(4)10/h4-7,9-11H,1-3H2/t4-,5-,6-,7-/m1/s1.
What are the key properties of (1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 164.18 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 158007265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).