4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile

C14H8F4N2O — CID 107933329

IUPAC4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc(OC(F)F)cc2)c(F)c1F
InChIInChI=1S/C14H8F4N2O/c15-12-8(7-19)1-6-11(13(12)16)20-9-2-4-10(5-3-9)21-14(17)18/h1-6,14,20H
InChIKeyBJXOACQOHFTUJV-UHFFFAOYSA-N
MW296.22 g/mol
LogP4.18
Rot. Bonds4

About 4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile

4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile (PubChem CID 107933329) has the molecular formula C14H8F4N2O and a molecular weight of 296.22 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile
PubChem CID107933329
Molecular FormulaC14H8F4N2O
Molecular Weight296.22 g/mol
Exact Mass296.06
IUPAC Name4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc(OC(F)F)cc2)c(F)c1F
InChIInChI=1S/C14H8F4N2O/c15-12-8(7-19)1-6-11(13(12)16)20-9-2-4-10(5-3-9)21-14(17)18/h1-6,14,20H
InChIKeyBJXOACQOHFTUJV-UHFFFAOYSA-N
XLogP4.18
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-[4-(difluoromethoxy)anilino]benzonitrile
CID 114890441
4-(4-bromoanilino)-2,3-difluorobenzonitrile
CID 107933239
2,3-difluoro-4-(4-propan-2-ylanilino)benzonitrile
CID 107933203
2-[4-(difluoromethoxy)anilino]-5-nitrobenzonitrile
CID 9311738
2-bromo-3-fluoro-4-(4-methoxyanilino)benzonitrile
CID 107532976
4-(difluoromethoxy)-2-(4-fluoro-2-methylanilino)benzonitrile
CID 155452838
4-amino-3-[4-(difluoromethoxy)anilino]benzonitrile
CID 104711485
N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline
CID 56636646
4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile
CID 107933151
4-(3-bromo-4-chloroanilino)-2,3-difluorobenzonitrile
CID 107933980
5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile
CID 177182301
2,3-difluoro-4-(3-propan-2-ylanilino)benzonitrile
CID 107933319

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile?
The IUPAC name of 4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile (CID 107933329) is 4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile.
What is the SMILES notation for 4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile?
The canonical SMILES for 4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile is N#Cc1ccc(Nc2ccc(OC(F)F)cc2)c(F)c1F.
What is the InChIKey of 4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile?
The InChIKey is BJXOACQOHFTUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O/c15-12-8(7-19)1-6-11(13(12)16)20-9-2-4-10(5-3-9)21-14(17)18/h1-6,14,20H.
What are the key properties of 4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile?
4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile has a molecular weight of 296.22 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile is sourced from PubChem (CID 107933329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).