3-fluoro-2-methylpropan-1-ol

C4H9FO — CID 54169163

IUPAC3-fluoro-2-methylpropan-1-ol
SMILESCC(CO)CF
InChIInChI=1S/C4H9FO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3
InChIKeyHRPXBIFMRWNHRU-UHFFFAOYSA-N
MW92.11 g/mol
LogP0.58
Rot. Bonds2

About 3-fluoro-2-methylpropan-1-ol

3-fluoro-2-methylpropan-1-ol (PubChem CID 54169163) has the molecular formula C4H9FO and a molecular weight of 92.11 g/mol. Its IUPAC name is 3-fluoro-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-fluoro-2-methylpropan-1-ol
PubChem CID54169163
Molecular FormulaC4H9FO
Molecular Weight92.11 g/mol
Exact Mass92.06
IUPAC Name3-fluoro-2-methylpropan-1-ol
SMILESCC(CO)CF
InChIInChI=1S/C4H9FO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3
InChIKeyHRPXBIFMRWNHRU-UHFFFAOYSA-N
XLogP0.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.11
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isobutanol
CID 6560
3-Fluorobutan-1-ol
CID 14117409
2-Fluoro-1-butanol
CID 13278455
3,3,3-Trifluoro-2-methylpropan-1-ol
CID 10148993
2-Fluoro-2-methylpropan-1-ol
CID 11126179
3,3-Difluoro-2-methylpropan-1-ol
CID 78061721
(2S)-2-fluoro-3-methylbutan-1-ol
CID 10582748
2-Fluoro-3-methylbutan-1-ol
CID 14008486
(3S)-3-fluorobutan-1-ol
CID 54524324
(3R)-3-fluorobutan-1-ol
CID 54524325
3-Fluoro-3-methylbutan-1-ol
CID 59708471
2-Methyl-1-propanol-d2
CID 59842639

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylpropan-1-ol?
The IUPAC name of 3-fluoro-2-methylpropan-1-ol (CID 54169163) is 3-fluoro-2-methylpropan-1-ol.
What is the SMILES notation for 3-fluoro-2-methylpropan-1-ol?
The canonical SMILES for 3-fluoro-2-methylpropan-1-ol is CC(CO)CF.
What is the InChIKey of 3-fluoro-2-methylpropan-1-ol?
The InChIKey is HRPXBIFMRWNHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3.
What are the key properties of 3-fluoro-2-methylpropan-1-ol?
3-fluoro-2-methylpropan-1-ol has a molecular weight of 92.11 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylpropan-1-ol is sourced from PubChem (CID 54169163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).