2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile

C14H9F3N2 — CID 103760986

IUPAC2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1CNc1cc(F)ccc1F
InChIInChI=1S/C14H9F3N2/c15-11-2-1-9(7-18)10(5-11)8-19-14-6-12(16)3-4-13(14)17/h1-6,19H,8H2
InChIKeyDOOTVHRHONHASS-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.59
Rot. Bonds3

About 2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile

2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile (PubChem CID 103760986) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile
PubChem CID103760986
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1CNc1cc(F)ccc1F
InChIInChI=1S/C14H9F3N2/c15-11-2-1-9(7-18)10(5-11)8-19-14-6-12(16)3-4-13(14)17/h1-6,19H,8H2
InChIKeyDOOTVHRHONHASS-UHFFFAOYSA-N
XLogP3.59
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 103761123
2-[(4-chloro-2-iodoanilino)methyl]-4-fluorobenzonitrile
CID 107904996
2-[(2,5-dibromoanilino)methyl]-4-fluorobenzonitrile
CID 107904052
4-fluoro-2-[(2-methoxyanilino)methyl]benzonitrile
CID 103761075
5-[(2,5-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 65336388
2-[(4-bromo-2-methylanilino)methyl]-4-fluorobenzonitrile
CID 103760980
2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 107904696
4-fluoro-2-[(3-fluoro-4-methylanilino)methyl]benzonitrile
CID 103760969
4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile
CID 64920275
4-[(2-cyano-5-fluorophenyl)methylamino]-3-methoxybenzonitrile
CID 104843704
2-[(2,5-difluorophenyl)methylamino]-4-methoxybenzonitrile
CID 81306790
3-[(2-cyano-4-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 79034004

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile (CID 103760986) is 2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile is N#Cc1ccc(F)cc1CNc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile?
The InChIKey is DOOTVHRHONHASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-11-2-1-9(7-18)10(5-11)8-19-14-6-12(16)3-4-13(14)17/h1-6,19H,8H2.
What are the key properties of 2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile?
2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile has a molecular weight of 262.23 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile is sourced from PubChem (CID 103760986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).