3-[2-(difluoromethoxy)anilino]benzonitrile

C14H10F2N2O — CID 102815274

IUPAC3-[2-(difluoromethoxy)anilino]benzonitrile
SMILESN#Cc1cccc(Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C14H10F2N2O/c15-14(16)19-13-7-2-1-6-12(13)18-11-5-3-4-10(8-11)9-17/h1-8,14,18H
InChIKeyRSOPYHYWJSMQTC-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.90
Rot. Bonds4

About 3-[2-(difluoromethoxy)anilino]benzonitrile

3-[2-(difluoromethoxy)anilino]benzonitrile (PubChem CID 102815274) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)anilino]benzonitrile.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)anilino]benzonitrile
PubChem CID102815274
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name3-[2-(difluoromethoxy)anilino]benzonitrile
SMILESN#Cc1cccc(Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C14H10F2N2O/c15-14(16)19-13-7-2-1-6-12(13)18-11-5-3-4-10(8-11)9-17/h1-8,14,18H
InChIKeyRSOPYHYWJSMQTC-UHFFFAOYSA-N
XLogP3.90
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile
CID 43657318
2-[2-amino-5-[2-(difluoromethoxy)anilino]phenyl]acetonitrile
CID 102623842
3-[[5-(2-propan-2-yloxyanilino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112967806
2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile
CID 107106440
5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile
CID 114890442
3-(difluoromethoxy)benzonitrile
CID 2736988
4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide
CID 953070
3-(2-amino-5-fluoroanilino)benzonitrile
CID 55067681
3-(2-amino-4-fluoroanilino)benzonitrile
CID 29067223
3-(4-fluoro-2-iodoanilino)benzonitrile
CID 102816826
5-(difluoromethoxy)naphthalene-2-carbonitrile
CID 133084193
3-(5-chloro-2-fluoroanilino)benzonitrile
CID 102815357

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)anilino]benzonitrile?
The IUPAC name of 3-[2-(difluoromethoxy)anilino]benzonitrile (CID 102815274) is 3-[2-(difluoromethoxy)anilino]benzonitrile.
What is the SMILES notation for 3-[2-(difluoromethoxy)anilino]benzonitrile?
The canonical SMILES for 3-[2-(difluoromethoxy)anilino]benzonitrile is N#Cc1cccc(Nc2ccccc2OC(F)F)c1.
What is the InChIKey of 3-[2-(difluoromethoxy)anilino]benzonitrile?
The InChIKey is RSOPYHYWJSMQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-14(16)19-13-7-2-1-6-12(13)18-11-5-3-4-10(8-11)9-17/h1-8,14,18H.
What are the key properties of 3-[2-(difluoromethoxy)anilino]benzonitrile?
3-[2-(difluoromethoxy)anilino]benzonitrile has a molecular weight of 260.24 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)anilino]benzonitrile is sourced from PubChem (CID 102815274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).