3-fluorobutan-1-ol

C4H9FO — CID 14117409

IUPAC3-fluorobutan-1-ol
SMILESCC(F)CCO
InChIInChI=1S/C4H9FO/c1-4(5)2-3-6/h4,6H,2-3H2,1H3
InChIKeyYSAZHINBXCWZTE-UHFFFAOYSA-N
MW92.11 g/mol
LogP0.73
Rot. Bonds2

About 3-fluorobutan-1-ol

3-fluorobutan-1-ol (PubChem CID 14117409) has the molecular formula C4H9FO and a molecular weight of 92.11 g/mol. Its IUPAC name is 3-fluorobutan-1-ol.

Molecular Properties

Compound Name3-fluorobutan-1-ol
PubChem CID14117409
Molecular FormulaC4H9FO
Molecular Weight92.11 g/mol
Exact Mass92.06
IUPAC Name3-fluorobutan-1-ol
SMILESCC(F)CCO
InChIInChI=1S/C4H9FO/c1-4(5)2-3-6/h4,6H,2-3H2,1H3
InChIKeyYSAZHINBXCWZTE-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

1-Butanol
CID 263
4-Fluorobutan-1-ol
CID 9755
1-Butanol-d10
CID 2733134
1-Pentanol, 5-fluoro-
CID 120291
1-Butanol, potassium salt (1:1)
CID 180502
butan-1-(2H)ol
CID 20836
2,2-Difluorobutan-1-ol
CID 21880591
3,3-Difluorobutan-1-ol
CID 53831960
4,4-Difluorobutan-1-ol
CID 53976399
2-Fluoropropan-1-ol
CID 13278457
2-Fluoro-1-butanol
CID 13278455
2-Fluoro-2-methylpropan-1-ol
CID 11126179

Frequently Asked Questions

What is the IUPAC name of 3-fluorobutan-1-ol?
The IUPAC name of 3-fluorobutan-1-ol (CID 14117409) is 3-fluorobutan-1-ol.
What is the SMILES notation for 3-fluorobutan-1-ol?
The canonical SMILES for 3-fluorobutan-1-ol is CC(F)CCO.
What is the InChIKey of 3-fluorobutan-1-ol?
The InChIKey is YSAZHINBXCWZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO/c1-4(5)2-3-6/h4,6H,2-3H2,1H3.
What are the key properties of 3-fluorobutan-1-ol?
3-fluorobutan-1-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 3-fluorobutan-1-ol is sourced from PubChem (CID 14117409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).