(2S,3R)-3-fluoro-4-methylpentane-1,2-diol

C6H13FO2 — CID 130747055

IUPAC(2S,3R)-3-fluoro-4-methylpentane-1,2-diol
SMILESCC(C)[C@@H](F)[C@@H](O)CO
InChIInChI=1S/C6H13FO2/c1-4(2)6(7)5(9)3-8/h4-6,8-9H,3H2,1-2H3/t5-,6+/m0/s1
InChIKeySQWMTCPOGSQHEI-NTSWFWBYSA-N
MW136.17 g/mol
LogP0.33
Rot. Bonds3

About (2S,3R)-3-fluoro-4-methylpentane-1,2-diol

(2S,3R)-3-fluoro-4-methylpentane-1,2-diol (PubChem CID 130747055) has the molecular formula C6H13FO2 and a molecular weight of 136.17 g/mol. Its IUPAC name is (2S,3R)-3-fluoro-4-methylpentane-1,2-diol.

Molecular Properties

Compound Name(2S,3R)-3-fluoro-4-methylpentane-1,2-diol
PubChem CID130747055
Molecular FormulaC6H13FO2
Molecular Weight136.17 g/mol
Exact Mass136.09
IUPAC Name(2S,3R)-3-fluoro-4-methylpentane-1,2-diol
SMILESCC(C)[C@@H](F)[C@@H](O)CO
InChIInChI=1S/C6H13FO2/c1-4(2)6(7)5(9)3-8/h4-6,8-9H,3H2,1-2H3/t5-,6+/m0/s1
InChIKeySQWMTCPOGSQHEI-NTSWFWBYSA-N
XLogP0.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3R)-3-fluoro-4-methylpentane-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

Related Compounds

4-Methyl-2,3-pentanediol
CID 552109
2-Pentanol, 1-methoxy-4-methyl-
CID 23405791
2-Methoxy-4-methylpentan-1-ol
CID 72450916
(2R,3R)-4-methylpentane-2,3-diol
CID 12547715
(2R)-2,4-dimethylpentane-1,2-diol
CID 118216592
2,4-Dimethyl-2,3-pentanediol
CID 544655
(2s,3s)3-Methyl 1,2-pentanediol
CID 10772963
(2S,3R)-2-fluoro-4-methylpentane-1,3-diol
CID 11446362
(2R,3R,4R)-4-methylhexane-2,3-diol
CID 14636800
(2R,3R,4S)-4-methylhexane-2,3-diol
CID 14636802
(2R,3S,4S)-4-methylhexane-2,3-diol
CID 14636805
(2R)-3-ethyl-3-fluoropentane-1,2-diol
CID 15881150

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-fluoro-4-methylpentane-1,2-diol?
The IUPAC name of (2S,3R)-3-fluoro-4-methylpentane-1,2-diol (CID 130747055) is (2S,3R)-3-fluoro-4-methylpentane-1,2-diol.
What is the SMILES notation for (2S,3R)-3-fluoro-4-methylpentane-1,2-diol?
The canonical SMILES for (2S,3R)-3-fluoro-4-methylpentane-1,2-diol is CC(C)[C@@H](F)[C@@H](O)CO.
What is the InChIKey of (2S,3R)-3-fluoro-4-methylpentane-1,2-diol?
The InChIKey is SQWMTCPOGSQHEI-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13FO2/c1-4(2)6(7)5(9)3-8/h4-6,8-9H,3H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of (2S,3R)-3-fluoro-4-methylpentane-1,2-diol?
(2S,3R)-3-fluoro-4-methylpentane-1,2-diol has a molecular weight of 136.17 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-fluoro-4-methylpentane-1,2-diol is sourced from PubChem (CID 130747055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).