4-fluoro-3-methylbutan-1-ol

C5H11FO — CID 22000521

IUPAC4-fluoro-3-methylbutan-1-ol
SMILESCC(CF)CCO
InChIInChI=1S/C5H11FO/c1-5(4-6)2-3-7/h5,7H,2-4H2,1H3
InChIKeyQCLXLDNWWLHSGT-UHFFFAOYSA-N
MW106.14 g/mol
LogP0.97
Rot. Bonds3

About 4-fluoro-3-methylbutan-1-ol

4-fluoro-3-methylbutan-1-ol (PubChem CID 22000521) has the molecular formula C5H11FO and a molecular weight of 106.14 g/mol. Its IUPAC name is 4-fluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-fluoro-3-methylbutan-1-ol
PubChem CID22000521
Molecular FormulaC5H11FO
Molecular Weight106.14 g/mol
Exact Mass106.08
IUPAC Name4-fluoro-3-methylbutan-1-ol
SMILESCC(CF)CCO
InChIInChI=1S/C5H11FO/c1-5(4-6)2-3-7/h5,7H,2-4H2,1H3
InChIKeyQCLXLDNWWLHSGT-UHFFFAOYSA-N
XLogP0.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 4-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

Related Compounds

carbanide;2-methylbutane-1,4-diol;titanium(2+)
CID 134981469
(3R)-5-bromo-3-methylpentan-1-ol
CID 139766878
butane-1,4-diol;2-methylbutane-1,4-diol
CID 158938905
3,7-dimethyloctan-1-ol
CID 7792
(3S)-4-methoxy-3-methylbutan-1-ol
CID 87593216
(3S,5R)-3,5-dimethylheptan-1-ol
CID 99134990
3-methyldecane-1,10-diol
CID 22596513
3-methyl-6-sulfanylhexan-1-ol
CID 87063689
sodium;hydride;3-methylbutan-1-ol
CID 173128134
calcium;hydride;3-methylbutan-1-ol
CID 174734037
butane-1,3-diol
CID 159666523
3,7-dimethyloctan-1-ol;ethanol
CID 175190567

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methylbutan-1-ol?
The IUPAC name of 4-fluoro-3-methylbutan-1-ol (CID 22000521) is 4-fluoro-3-methylbutan-1-ol.
What is the SMILES notation for 4-fluoro-3-methylbutan-1-ol?
The canonical SMILES for 4-fluoro-3-methylbutan-1-ol is CC(CF)CCO.
What is the InChIKey of 4-fluoro-3-methylbutan-1-ol?
The InChIKey is QCLXLDNWWLHSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO/c1-5(4-6)2-3-7/h5,7H,2-4H2,1H3.
What are the key properties of 4-fluoro-3-methylbutan-1-ol?
4-fluoro-3-methylbutan-1-ol has a molecular weight of 106.14 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methylbutan-1-ol is sourced from PubChem (CID 22000521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).