3-(3,5-difluoroanilino)-3-phenylpropanenitrile

C15H12F2N2 — CID 62778864

IUPAC3-(3,5-difluoroanilino)-3-phenylpropanenitrile
SMILESN#CCC(Nc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C15H12F2N2/c16-12-8-13(17)10-14(9-12)19-15(6-7-18)11-4-2-1-3-5-11/h1-5,8-10,15,19H,6H2
InChIKeyCYJMLOYQQIZUHT-UHFFFAOYSA-N
MW258.27 g/mol
LogP4.03
Rot. Bonds4

About 3-(3,5-difluoroanilino)-3-phenylpropanenitrile

3-(3,5-difluoroanilino)-3-phenylpropanenitrile (PubChem CID 62778864) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(3,5-difluoroanilino)-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-(3,5-difluoroanilino)-3-phenylpropanenitrile
PubChem CID62778864
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name3-(3,5-difluoroanilino)-3-phenylpropanenitrile
SMILESN#CCC(Nc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C15H12F2N2/c16-12-8-13(17)10-14(9-12)19-15(6-7-18)11-4-2-1-3-5-11/h1-5,8-10,15,19H,6H2
InChIKeyCYJMLOYQQIZUHT-UHFFFAOYSA-N
XLogP4.03
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-2-iodoanilino)-3-phenylpropanenitrile
CID 79769594
3,5-difluoro-N-(1-phenylbutyl)aniline
CID 43095450
3-(3,4-dimethylanilino)-3-phenylpropanenitrile
CID 55117815
3-(4-methylsulfanylanilino)-3-phenylpropanenitrile
CID 55117719
3-(3-methylsulfanylanilino)-3-phenylpropanenitrile
CID 62780712
3-(2-bromo-6-chloro-4-fluoroanilino)-3-phenylpropanenitrile
CID 107611520
3-(3-fluoro-4-methoxyanilino)-3-phenylpropanenitrile
CID 62780205
3-(2-methylsulfanylanilino)-3-phenylpropanenitrile
CID 107644742
3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021
3-(3-methoxyanilino)-3-phenylpropanenitrile
CID 62779366
3-(3,5-difluoroanilino)butanenitrile
CID 60913129
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-phenylpropanenitrile
CID 81347485

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoroanilino)-3-phenylpropanenitrile?
The IUPAC name of 3-(3,5-difluoroanilino)-3-phenylpropanenitrile (CID 62778864) is 3-(3,5-difluoroanilino)-3-phenylpropanenitrile.
What is the SMILES notation for 3-(3,5-difluoroanilino)-3-phenylpropanenitrile?
The canonical SMILES for 3-(3,5-difluoroanilino)-3-phenylpropanenitrile is N#CCC(Nc1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of 3-(3,5-difluoroanilino)-3-phenylpropanenitrile?
The InChIKey is CYJMLOYQQIZUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c16-12-8-13(17)10-14(9-12)19-15(6-7-18)11-4-2-1-3-5-11/h1-5,8-10,15,19H,6H2.
What are the key properties of 3-(3,5-difluoroanilino)-3-phenylpropanenitrile?
3-(3,5-difluoroanilino)-3-phenylpropanenitrile has a molecular weight of 258.27 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoroanilino)-3-phenylpropanenitrile is sourced from PubChem (CID 62778864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).