2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile

C9H6F3NO — CID 43436588

IUPAC2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H6F3NO/c10-9(11,12)7-4-2-1-3-6(7)8(14)5-13/h1-4,8,14H
InChIKeyOSAIACORWOTGTJ-UHFFFAOYSA-N
MW201.15 g/mol
LogP2.26
Rot. Bonds1

About 2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile

2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile (PubChem CID 43436588) has the molecular formula C9H6F3NO and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile
PubChem CID43436588
Molecular FormulaC9H6F3NO
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H6F3NO/c10-9(11,12)7-4-2-1-3-6(7)8(14)5-13/h1-4,8,14H
InChIKeyOSAIACORWOTGTJ-UHFFFAOYSA-N
XLogP2.26
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of 2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile (CID 43436588) is 2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for 2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile is N#CC(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is OSAIACORWOTGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO/c10-9(11,12)7-4-2-1-3-6(7)8(14)5-13/h1-4,8,14H.
What are the key properties of 2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile?
2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 201.15 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 43436588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).