(2S)-1-fluoropropan-2-ol

C3H7FO — CID 13278460

IUPAC(2S)-1-fluoropropan-2-ol
SMILESC[C@H](O)CF
InChIInChI=1S/C3H7FO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m0/s1
InChIKeyWPUWNCWLDZMYSC-VKHMYHEASA-N
MW78.09 g/mol
LogP0.34
Rot. Bonds1

About (2S)-1-fluoropropan-2-ol

(2S)-1-fluoropropan-2-ol (PubChem CID 13278460) has the molecular formula C3H7FO and a molecular weight of 78.09 g/mol. Its IUPAC name is (2S)-1-fluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-1-fluoropropan-2-ol
PubChem CID13278460
Molecular FormulaC3H7FO
Molecular Weight78.09 g/mol
Exact Mass78.05
IUPAC Name(2S)-1-fluoropropan-2-ol
SMILESC[C@H](O)CF
InChIInChI=1S/C3H7FO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m0/s1
InChIKeyWPUWNCWLDZMYSC-VKHMYHEASA-N
XLogP0.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.09
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-1-fluoropropan-2-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 (2S)-1-fluoropropan-2-ol?
The IUPAC name of (2S)-1-fluoropropan-2-ol (CID 13278460) is (2S)-1-fluoropropan-2-ol.
What is the SMILES notation for (2S)-1-fluoropropan-2-ol?
The canonical SMILES for (2S)-1-fluoropropan-2-ol is C[C@H](O)CF.
What is the InChIKey of (2S)-1-fluoropropan-2-ol?
The InChIKey is WPUWNCWLDZMYSC-VKHMYHEASA-N. The full InChI is InChI=1S/C3H7FO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-1-fluoropropan-2-ol?
(2S)-1-fluoropropan-2-ol has a molecular weight of 78.09 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoropropan-2-ol is sourced from PubChem (CID 13278460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).