2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile

C11H8F6N2 — CID 54893055

IUPAC2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CC(NCC(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F6N2/c12-10(13,14)6-19-9(5-18)7-1-3-8(4-2-7)11(15,16)17/h1-4,9,19H,6H2
InChIKeyFKWWOTBTQGDNNO-UHFFFAOYSA-N
MW282.19 g/mol
LogP3.42
Rot. Bonds3

About 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile

2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile (PubChem CID 54893055) has the molecular formula C11H8F6N2 and a molecular weight of 282.19 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
PubChem CID54893055
Molecular FormulaC11H8F6N2
Molecular Weight282.19 g/mol
Exact Mass282.06
IUPAC Name2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CC(NCC(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F6N2/c12-10(13,14)6-19-9(5-18)7-1-3-8(4-2-7)11(15,16)17/h1-4,9,19H,6H2
InChIKeyFKWWOTBTQGDNNO-UHFFFAOYSA-N
XLogP3.42
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84816571
2-(furan-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84816650
2-(2,2,2-trifluoroethylamino)-2-(3,4,5-trifluorophenyl)acetonitrile
CID 63078195
2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 54893107
N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 19931244
5-[cyano-(2,2,2-trifluoroethylamino)methyl]-2-methoxybenzonitrile
CID 65340727
2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 105378881
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetonitrile
CID 86782131
(2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile
CID 6925354
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 60998841
2-[4-(trifluoromethyl)phenyl]butanenitrile
CID 66855883
2-methyl-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propanenitrile
CID 62647085

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile (CID 54893055) is 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile is N#CC(NCC(F)(F)F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is FKWWOTBTQGDNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6N2/c12-10(13,14)6-19-9(5-18)7-1-3-8(4-2-7)11(15,16)17/h1-4,9,19H,6H2.
What are the key properties of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile?
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 282.19 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 54893055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).