4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile

C13H6F4N2 — CID 107933320

IUPAC4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile
SMILESN#Cc1ccc(Nc2c(F)cccc2F)c(F)c1F
InChIInChI=1S/C13H6F4N2/c14-8-2-1-3-9(15)13(8)19-10-5-4-7(6-18)11(16)12(10)17/h1-5,19H
InChIKeyVEGCKYMTCHNUPM-UHFFFAOYSA-N
MW266.20 g/mol
LogP3.86
Rot. Bonds2

About 4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile

4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile (PubChem CID 107933320) has the molecular formula C13H6F4N2 and a molecular weight of 266.20 g/mol. Its IUPAC name is 4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile.

Molecular Properties

Compound Name4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile
PubChem CID107933320
Molecular FormulaC13H6F4N2
Molecular Weight266.20 g/mol
Exact Mass266.05
IUPAC Name4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile
SMILESN#Cc1ccc(Nc2c(F)cccc2F)c(F)c1F
InChIInChI=1S/C13H6F4N2/c14-8-2-1-3-9(15)13(8)19-10-5-4-7(6-18)11(16)12(10)17/h1-5,19H
InChIKeyVEGCKYMTCHNUPM-UHFFFAOYSA-N
XLogP3.86
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile
CID 107600391
4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile
CID 107933149
4-(3-bromo-2-methylanilino)-2,3-difluorobenzonitrile
CID 107934305
4-(4-bromoanilino)-2,3-difluorobenzonitrile
CID 107933239
2,3-difluoro-4-(3-propan-2-ylanilino)benzonitrile
CID 107933319
2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile
CID 107533775
3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile
CID 81283820
3-amino-4-(2,6-difluoroanilino)benzonitrile
CID 43518142
2-bromo-4-(2,6-difluoroanilino)benzonitrile
CID 107275893
2-(2,3-difluoroanilino)-5-fluorobenzonitrile
CID 55233913
4-chloro-2-(2,3-difluoroanilino)benzonitrile
CID 63093409
2,3-difluoro-4-(4-propan-2-ylanilino)benzonitrile
CID 107933203

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile?
The IUPAC name of 4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile (CID 107933320) is 4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile.
What is the SMILES notation for 4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile?
The canonical SMILES for 4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile is N#Cc1ccc(Nc2c(F)cccc2F)c(F)c1F.
What is the InChIKey of 4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile?
The InChIKey is VEGCKYMTCHNUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4N2/c14-8-2-1-3-9(15)13(8)19-10-5-4-7(6-18)11(16)12(10)17/h1-5,19H.
What are the key properties of 4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile?
4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile has a molecular weight of 266.20 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile is sourced from PubChem (CID 107933320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).