2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile

C11H11F3N2 — CID 115111000

IUPAC2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile
SMILESCN(C)c1ccc(C(F)(F)F)c(CC#N)c1
InChIInChI=1S/C11H11F3N2/c1-16(2)9-3-4-10(11(12,13)14)8(7-9)5-6-15/h3-4,7H,5H2,1-2H3
InChIKeyUEOFRJWMVDOXHK-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.84
Rot. Bonds2

About 2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile

2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile (PubChem CID 115111000) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile
PubChem CID115111000
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile
SMILESCN(C)c1ccc(C(F)(F)F)c(CC#N)c1
InChIInChI=1S/C11H11F3N2/c1-16(2)9-3-4-10(11(12,13)14)8(7-9)5-6-15/h3-4,7H,5H2,1-2H3
InChIKeyUEOFRJWMVDOXHK-UHFFFAOYSA-N
XLogP2.84
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,5-bis(trifluoromethyl)phenyl]acetonitrile
CID 2773227
3-(cyanomethyl)-4-(trifluoromethyl)benzonitrile
CID 162523451
4-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]butanoic acid
CID 117108472
4-(cyanomethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 162523439
2-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]acetonitrile
CID 171003810
2-[2-fluoro-4,5-bis(trifluoromethyl)phenyl]acetonitrile
CID 118851669
2-(2-tert-butyl-5-fluorophenyl)acetonitrile
CID 59139819
2-[3-(dimethylamino)phenyl]acetonitrile
CID 53403559
2-[4,5-diisocyano-2-(trifluoromethyl)phenyl]acetonitrile
CID 177068334
2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704330
6-(cyanomethyl)-2-fluoro-3-(trifluoromethyl)benzonitrile
CID 171031126
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118823023

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of 2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile (CID 115111000) is 2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for 2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile is CN(C)c1ccc(C(F)(F)F)c(CC#N)c1.
What is the InChIKey of 2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is UEOFRJWMVDOXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-16(2)9-3-4-10(11(12,13)14)8(7-9)5-6-15/h3-4,7H,5H2,1-2H3.
What are the key properties of 2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile?
2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 228.22 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 115111000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).