(2S)-2-fluoro-3-methylbutan-1-ol

C5H11FO — CID 10582748

IUPAC(2S)-2-fluoro-3-methylbutan-1-ol
SMILESCC(C)[C@H](F)CO
InChIInChI=1S/C5H11FO/c1-4(2)5(6)3-7/h4-5,7H,3H2,1-2H3/t5-/m1/s1
InChIKeyGRRGZCQZZLXSGF-RXMQYKEDSA-N
MW106.14 g/mol
LogP0.97
Rot. Bonds2

About (2S)-2-fluoro-3-methylbutan-1-ol

(2S)-2-fluoro-3-methylbutan-1-ol (PubChem CID 10582748) has the molecular formula C5H11FO and a molecular weight of 106.14 g/mol. Its IUPAC name is (2S)-2-fluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-fluoro-3-methylbutan-1-ol
PubChem CID10582748
Molecular FormulaC5H11FO
Molecular Weight106.14 g/mol
Exact Mass106.08
IUPAC Name(2S)-2-fluoro-3-methylbutan-1-ol
SMILESCC(C)[C@H](F)CO
InChIInChI=1S/C5H11FO/c1-4(2)5(6)3-7/h4-5,7H,3H2,1-2H3/t5-/m1/s1
InChIKeyGRRGZCQZZLXSGF-RXMQYKEDSA-N
XLogP0.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-fluoro-3-methylbutan-1-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)-2-fluoro-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-fluoro-3-methylbutan-1-ol (CID 10582748) is (2S)-2-fluoro-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-fluoro-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-fluoro-3-methylbutan-1-ol is CC(C)[C@H](F)CO.
What is the InChIKey of (2S)-2-fluoro-3-methylbutan-1-ol?
The InChIKey is GRRGZCQZZLXSGF-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11FO/c1-4(2)5(6)3-7/h4-5,7H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of (2S)-2-fluoro-3-methylbutan-1-ol?
(2S)-2-fluoro-3-methylbutan-1-ol has a molecular weight of 106.14 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-3-methylbutan-1-ol is sourced from PubChem (CID 10582748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).