2-(2,4-difluorophenyl)-2-hydroxypropanenitrile

C9H7F2NO — CID 83389399

IUPAC2-(2,4-difluorophenyl)-2-hydroxypropanenitrile
SMILESCC(O)(C#N)c1ccc(F)cc1F
InChIInChI=1S/C9H7F2NO/c1-9(13,5-12)7-3-2-6(10)4-8(7)11/h2-4,13H,1H3
InChIKeySLAIVJUJEVVEPH-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.70
Rot. Bonds1

About 2-(2,4-difluorophenyl)-2-hydroxypropanenitrile

2-(2,4-difluorophenyl)-2-hydroxypropanenitrile (PubChem CID 83389399) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-hydroxypropanenitrile.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-hydroxypropanenitrile
PubChem CID83389399
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(2,4-difluorophenyl)-2-hydroxypropanenitrile
SMILESCC(O)(C#N)c1ccc(F)cc1F
InChIInChI=1S/C9H7F2NO/c1-9(13,5-12)7-3-2-6(10)4-8(7)11/h2-4,13H,1H3
InChIKeySLAIVJUJEVVEPH-UHFFFAOYSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl-2-propanol
CID 12053
Mandelonitrile
CID 10758
(S)-Mandelonitrile
CID 439767
Mandelonitrile, (+)-
CID 9548674
alpha,alpha-Bis(trifluoromethyl)benzyl alcohol
CID 69748
2-Phenylbutan-2-ol
CID 15283
2-Phenyl-pentan-2-ol
CID 138214
3-Phenylpentan-3-ol
CID 238511
2-Phenyl-4-penten-2-ol
CID 143761
1-(4-Fluorophenyl)cyclohexanol
CID 261544
3-Methyl-4-(1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-2-(trifluoromethyl)benzonitrile
CID 127049715
(S)-2-phenylpent-4-en-2-ol
CID 6993279

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-hydroxypropanenitrile?
The IUPAC name of 2-(2,4-difluorophenyl)-2-hydroxypropanenitrile (CID 83389399) is 2-(2,4-difluorophenyl)-2-hydroxypropanenitrile.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-hydroxypropanenitrile?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-hydroxypropanenitrile is CC(O)(C#N)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-hydroxypropanenitrile?
The InChIKey is SLAIVJUJEVVEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c1-9(13,5-12)7-3-2-6(10)4-8(7)11/h2-4,13H,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-2-hydroxypropanenitrile?
2-(2,4-difluorophenyl)-2-hydroxypropanenitrile has a molecular weight of 183.16 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-hydroxypropanenitrile is sourced from PubChem (CID 83389399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).