2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile

C11H11F3N2 — CID 43802593

IUPAC2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
SMILESCN(C)C(C#N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2/c1-16(2)10(7-15)8-4-3-5-9(6-8)11(12,13)14/h3-6,10H,1-2H3
InChIKeyIQKMIFPCHIPZBT-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.83
Rot. Bonds2

About 2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile

2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile (PubChem CID 43802593) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
PubChem CID43802593
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
SMILESCN(C)C(C#N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2/c1-16(2)10(7-15)8-4-3-5-9(6-8)11(12,13)14/h3-6,10H,1-2H3
InChIKeyIQKMIFPCHIPZBT-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 171035691
2-[cyano-[3-(trifluoromethyl)phenyl]methyl]sulfinyl-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 54214670
2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propanenitrile
CID 55023215
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
2-[[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]acetonitrile
CID 95629809
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 79054171
tert-butyl 2-cyano-2-[3-(trifluoromethyl)phenyl]acetate
CID 102590069
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
[methoxy(methyl)amino]-[3-(trifluoromethyl)phenyl]methanol
CID 162547672

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of 2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile (CID 43802593) is 2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for 2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile is CN(C)C(C#N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is IQKMIFPCHIPZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-16(2)10(7-15)8-4-3-5-9(6-8)11(12,13)14/h3-6,10H,1-2H3.
What are the key properties of 2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile?
2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 228.22 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 43802593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).