1-fluorobutan-2-ol

C4H9FO — CID 13278453

IUPAC1-fluorobutan-2-ol
SMILESCCC(O)CF
InChIInChI=1S/C4H9FO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3
InChIKeyMPGNSGYTEYWFIS-UHFFFAOYSA-N
MW92.11 g/mol
LogP0.73
Rot. Bonds2

About 1-fluorobutan-2-ol

1-fluorobutan-2-ol (PubChem CID 13278453) has the molecular formula C4H9FO and a molecular weight of 92.11 g/mol. Its IUPAC name is 1-fluorobutan-2-ol.

Molecular Properties

Compound Name1-fluorobutan-2-ol
PubChem CID13278453
Molecular FormulaC4H9FO
Molecular Weight92.11 g/mol
Exact Mass92.06
IUPAC Name1-fluorobutan-2-ol
SMILESCCC(O)CF
InChIInChI=1S/C4H9FO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3
InChIKeyMPGNSGYTEYWFIS-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

pentan-3-ol
CID 11428
pentan-3-ol;dihydrochloride
CID 141116397
1,3-difluoropropan-2-ol
CID 159459555
(3R,5R)-heptane-3,5-diol
CID 12641368
N-methylmethanamine;pentan-3-ol
CID 143532118
tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994
1-fluorohexan-2-ol
CID 11819078
butane-1,2-diol;hydrochloride
CID 141185193
butan-2-ol;methane;pentan-3-ol
CID 160881005
butane-1,2-diol;methane
CID 158754649
hexan-3-ol
CID 12178

Frequently Asked Questions

What is the IUPAC name of 1-fluorobutan-2-ol?
The IUPAC name of 1-fluorobutan-2-ol (CID 13278453) is 1-fluorobutan-2-ol.
What is the SMILES notation for 1-fluorobutan-2-ol?
The canonical SMILES for 1-fluorobutan-2-ol is CCC(O)CF.
What is the InChIKey of 1-fluorobutan-2-ol?
The InChIKey is MPGNSGYTEYWFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3.
What are the key properties of 1-fluorobutan-2-ol?
1-fluorobutan-2-ol has a molecular weight of 92.11 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutan-2-ol is sourced from PubChem (CID 13278453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).