2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile

C15H11F3N2 — CID 116789232

IUPAC2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1NCC(F)(F)c1ccccc1
InChIInChI=1S/C15H11F3N2/c16-13-6-7-14(11(8-13)9-19)20-10-15(17,18)12-4-2-1-3-5-12/h1-8,20H,10H2
InChIKeyZAHMGQIXMKGKIH-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.90
Rot. Bonds4

About 2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile

2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile (PubChem CID 116789232) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile
PubChem CID116789232
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1NCC(F)(F)c1ccccc1
InChIInChI=1S/C15H11F3N2/c16-13-6-7-14(11(8-13)9-19)20-10-15(17,18)12-4-2-1-3-5-12/h1-8,20H,10H2
InChIKeyZAHMGQIXMKGKIH-UHFFFAOYSA-N
XLogP3.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-(2-phenylethylamino)benzonitrile
CID 63672929
3-bromo-4-[(2,2-difluoro-2-phenylethyl)amino]benzonitrile
CID 107789820
5-fluoro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 82015763
5-fluoro-2-(2-phenoxyethylamino)benzonitrile
CID 63674810
N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline
CID 116788722
2-[(3-aminophenyl)methylamino]-5-fluorobenzonitrile
CID 63674317
5-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzonitrile
CID 63827205
2-(2-bromoanilino)-5-fluorobenzonitrile
CID 55232513
2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788759
5-amino-2-(2,2,2-trifluoroethylamino)benzonitrile
CID 61295779
N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide
CID 91662349
5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline
CID 116788850

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile?
The IUPAC name of 2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile (CID 116789232) is 2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile is N#Cc1cc(F)ccc1NCC(F)(F)c1ccccc1.
What is the InChIKey of 2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile?
The InChIKey is ZAHMGQIXMKGKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c16-13-6-7-14(11(8-13)9-19)20-10-15(17,18)12-4-2-1-3-5-12/h1-8,20H,10H2.
What are the key properties of 2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile?
2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile has a molecular weight of 276.26 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-2-phenylethyl)amino]-5-fluorobenzonitrile is sourced from PubChem (CID 116789232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).