4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile

C14H9F3N2O — CID 43657318

IUPAC4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccccc2OC(F)F)c(F)c1
InChIInChI=1S/C14H9F3N2O/c15-10-7-9(8-18)5-6-11(10)19-12-3-1-2-4-13(12)20-14(16)17/h1-7,14,19H
InChIKeyNACHPCGEXZKJSZ-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.04
Rot. Bonds4

About 4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile

4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile (PubChem CID 43657318) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile
PubChem CID43657318
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccccc2OC(F)F)c(F)c1
InChIInChI=1S/C14H9F3N2O/c15-10-7-9(8-18)5-6-11(10)19-12-3-1-2-4-13(12)20-14(16)17/h1-7,14,19H
InChIKeyNACHPCGEXZKJSZ-UHFFFAOYSA-N
XLogP4.04
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(difluoromethoxy)anilino]benzonitrile
CID 102815274
4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide
CID 953070
5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile
CID 114890442
2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile
CID 104716975
3-fluoro-4-(methylamino)benzonitrile
CID 21029569
4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 43657055
2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine
CID 43329050
3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile
CID 43808556
4-[1-[4-(difluoromethoxy)phenyl]ethylamino]-3-fluorobenzonitrile
CID 133350712
5-(difluoromethoxy)naphthalene-2-carbonitrile
CID 133084193
3-fluoro-4-(3-fluoroanilino)benzonitrile
CID 43657175
2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile
CID 107106440

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile?
The IUPAC name of 4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile (CID 43657318) is 4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile?
The canonical SMILES for 4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile is N#Cc1ccc(Nc2ccccc2OC(F)F)c(F)c1.
What is the InChIKey of 4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile?
The InChIKey is NACHPCGEXZKJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-10-7-9(8-18)5-6-11(10)19-12-3-1-2-4-13(12)20-14(16)17/h1-7,14,19H.
What are the key properties of 4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile?
4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile has a molecular weight of 278.23 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile is sourced from PubChem (CID 43657318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).