4-fluorobutan-1-ol

C4H9FO — CID 9755

IUPAC4-fluorobutan-1-ol
SMILESOCCCCF
InChIInChI=1S/C4H9FO/c5-3-1-2-4-6/h6H,1-4H2
InChIKeySHOBGSRUFRALBO-UHFFFAOYSA-N
MW92.11 g/mol
LogP0.73
Rot. Bonds3

About 4-fluorobutan-1-ol

4-fluorobutan-1-ol (PubChem CID 9755) has the molecular formula C4H9FO and a molecular weight of 92.11 g/mol. Its IUPAC name is 4-fluorobutan-1-ol.

Molecular Properties

Compound Name4-fluorobutan-1-ol
PubChem CID9755
Molecular FormulaC4H9FO
Molecular Weight92.11 g/mol
Exact Mass92.06
IUPAC Name4-fluorobutan-1-ol
SMILESOCCCCF
InChIInChI=1S/C4H9FO/c5-3-1-2-4-6/h6H,1-4H2
InChIKeySHOBGSRUFRALBO-UHFFFAOYSA-N
XLogP0.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Butanol
CID 263
4,4,4-Trifluorobutan-1-ol
CID 136307
3-Fluoro-1-propanol
CID 68042
1-Pentanol, 5-fluoro-
CID 120291
3-Fluorobutan-1-ol
CID 14117409
2,2-Difluorobutan-1-ol
CID 21880591
3,3-Difluorobutan-1-ol
CID 53831960
4,4-Difluorobutan-1-ol
CID 53976399
butan-1-(2H)ol
CID 20836
1-Butanol-d10
CID 2733134
2-Fluoro-1-butanol
CID 13278455
2-Fluoro-2-methylpropan-1-ol
CID 11126179

Frequently Asked Questions

What is the IUPAC name of 4-fluorobutan-1-ol?
The IUPAC name of 4-fluorobutan-1-ol (CID 9755) is 4-fluorobutan-1-ol.
What is the SMILES notation for 4-fluorobutan-1-ol?
The canonical SMILES for 4-fluorobutan-1-ol is OCCCCF.
What is the InChIKey of 4-fluorobutan-1-ol?
The InChIKey is SHOBGSRUFRALBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO/c5-3-1-2-4-6/h6H,1-4H2.
What are the key properties of 4-fluorobutan-1-ol?
4-fluorobutan-1-ol has a molecular weight of 92.11 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobutan-1-ol is sourced from PubChem (CID 9755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).