2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile

C11H11F3N2O — CID 43802575

IUPAC2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile
SMILESCN(C)C(C#N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O/c1-16(2)10(7-15)8-3-5-9(6-4-8)17-11(12,13)14/h3-6,10H,1-2H3
InChIKeyVFQPNRMMCAUYDH-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.71
Rot. Bonds3

About 2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile

2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile (PubChem CID 43802575) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile
PubChem CID43802575
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile
SMILESCN(C)C(C#N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O/c1-16(2)10(7-15)8-3-5-9(6-4-8)17-11(12,13)14/h3-6,10H,1-2H3
InChIKeyVFQPNRMMCAUYDH-UHFFFAOYSA-N
XLogP2.71
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-[cyano-[4-(trifluoromethoxy)phenyl]methyl]carbamic acid
CID 118006695
N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine
CID 59146343
(1R)-1-[4-(trifluoromethoxy)phenyl]ethanethiol
CID 28974994
[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide
CID 162105991
2-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-2-methylbutanenitrile
CID 79136280
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
2-(dimethylamino)-2-(4-ethylsulfanylphenyl)acetonitrile
CID 116909818
N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 16791138
1-(3-bromobutan-2-yl)-4-(trifluoromethoxy)benzene
CID 66470056
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880
1-(1-bromopropyl)-4-(trifluoromethoxy)benzene
CID 53466431
N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
CID 174736613

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile?
The IUPAC name of 2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile (CID 43802575) is 2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile is CN(C)C(C#N)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile?
The InChIKey is VFQPNRMMCAUYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-16(2)10(7-15)8-3-5-9(6-4-8)17-11(12,13)14/h3-6,10H,1-2H3.
What are the key properties of 2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile?
2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile has a molecular weight of 244.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile is sourced from PubChem (CID 43802575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).