2-(fluoromethyl)butan-1-ol

C5H11FO — CID 59510838

IUPAC2-(fluoromethyl)butan-1-ol
SMILESCCC(CO)CF
InChIInChI=1S/C5H11FO/c1-2-5(3-6)4-7/h5,7H,2-4H2,1H3
InChIKeyDEZUZHYKVLASTJ-UHFFFAOYSA-N
MW106.14 g/mol
LogP0.97
Rot. Bonds3

About 2-(fluoromethyl)butan-1-ol

2-(fluoromethyl)butan-1-ol (PubChem CID 59510838) has the molecular formula C5H11FO and a molecular weight of 106.14 g/mol. Its IUPAC name is 2-(fluoromethyl)butan-1-ol.

Molecular Properties

Compound Name2-(fluoromethyl)butan-1-ol
PubChem CID59510838
Molecular FormulaC5H11FO
Molecular Weight106.14 g/mol
Exact Mass106.08
IUPAC Name2-(fluoromethyl)butan-1-ol
SMILESCCC(CO)CF
InChIInChI=1S/C5H11FO/c1-2-5(3-6)4-7/h5,7H,2-4H2,1H3
InChIKeyDEZUZHYKVLASTJ-UHFFFAOYSA-N
XLogP0.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)butan-1-ol?
The IUPAC name of 2-(fluoromethyl)butan-1-ol (CID 59510838) is 2-(fluoromethyl)butan-1-ol.
What is the SMILES notation for 2-(fluoromethyl)butan-1-ol?
The canonical SMILES for 2-(fluoromethyl)butan-1-ol is CCC(CO)CF.
What is the InChIKey of 2-(fluoromethyl)butan-1-ol?
The InChIKey is DEZUZHYKVLASTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO/c1-2-5(3-6)4-7/h5,7H,2-4H2,1H3.
What are the key properties of 2-(fluoromethyl)butan-1-ol?
2-(fluoromethyl)butan-1-ol has a molecular weight of 106.14 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)butan-1-ol is sourced from PubChem (CID 59510838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).