2-fluorobutan-1-ol

C4H9FO — CID 13278455

IUPAC2-fluorobutan-1-ol
SMILESCCC(F)CO
InChIInChI=1S/C4H9FO/c1-2-4(5)3-6/h4,6H,2-3H2,1H3
InChIKeyBLYSPQXGKZNMJA-UHFFFAOYSA-N
MW92.11 g/mol
LogP0.73
Rot. Bonds2

About 2-fluorobutan-1-ol

2-fluorobutan-1-ol (PubChem CID 13278455) has the molecular formula C4H9FO and a molecular weight of 92.11 g/mol. Its IUPAC name is 2-fluorobutan-1-ol.

Molecular Properties

Compound Name2-fluorobutan-1-ol
PubChem CID13278455
Molecular FormulaC4H9FO
Molecular Weight92.11 g/mol
Exact Mass92.06
IUPAC Name2-fluorobutan-1-ol
SMILESCCC(F)CO
InChIInChI=1S/C4H9FO/c1-2-4(5)3-6/h4,6H,2-3H2,1H3
InChIKeyBLYSPQXGKZNMJA-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
3-Fluorobutan-1-ol
CID 14117409
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-2-methylpropan-1-ol
CID 11126179

Frequently Asked Questions

What is the IUPAC name of 2-fluorobutan-1-ol?
The IUPAC name of 2-fluorobutan-1-ol (CID 13278455) is 2-fluorobutan-1-ol.
What is the SMILES notation for 2-fluorobutan-1-ol?
The canonical SMILES for 2-fluorobutan-1-ol is CCC(F)CO.
What is the InChIKey of 2-fluorobutan-1-ol?
The InChIKey is BLYSPQXGKZNMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO/c1-2-4(5)3-6/h4,6H,2-3H2,1H3.
What are the key properties of 2-fluorobutan-1-ol?
2-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 2-fluorobutan-1-ol is sourced from PubChem (CID 13278455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).