4-fluoro-3-hydroxy-4-methylpentanenitrile

C6H10FNO — CID 141248838

IUPAC4-fluoro-3-hydroxy-4-methylpentanenitrile
SMILESCC(C)(F)C(O)CC#N
InChIInChI=1S/C6H10FNO/c1-6(2,7)5(9)3-4-8/h5,9H,3H2,1-2H3
InChIKeyUFQUHLIFADXSBN-UHFFFAOYSA-N
MW131.15 g/mol
LogP1.01
Rot. Bonds2

About 4-fluoro-3-hydroxy-4-methylpentanenitrile

4-fluoro-3-hydroxy-4-methylpentanenitrile (PubChem CID 141248838) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-4-methylpentanenitrile.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-4-methylpentanenitrile
PubChem CID141248838
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name4-fluoro-3-hydroxy-4-methylpentanenitrile
SMILESCC(C)(F)C(O)CC#N
InChIInChI=1S/C6H10FNO/c1-6(2,7)5(9)3-4-8/h5,9H,3H2,1-2H3
InChIKeyUFQUHLIFADXSBN-UHFFFAOYSA-N
XLogP1.01
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-4-methylpentanenitrile?
The IUPAC name of 4-fluoro-3-hydroxy-4-methylpentanenitrile (CID 141248838) is 4-fluoro-3-hydroxy-4-methylpentanenitrile.
What is the SMILES notation for 4-fluoro-3-hydroxy-4-methylpentanenitrile?
The canonical SMILES for 4-fluoro-3-hydroxy-4-methylpentanenitrile is CC(C)(F)C(O)CC#N.
What is the InChIKey of 4-fluoro-3-hydroxy-4-methylpentanenitrile?
The InChIKey is UFQUHLIFADXSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-6(2,7)5(9)3-4-8/h5,9H,3H2,1-2H3.
What are the key properties of 4-fluoro-3-hydroxy-4-methylpentanenitrile?
4-fluoro-3-hydroxy-4-methylpentanenitrile has a molecular weight of 131.15 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-hydroxy-4-methylpentanenitrile is sourced from PubChem (CID 141248838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).