2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile

C13H8ClFN2O — CID 63083303

IUPAC2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1Oc1ccc(N)cc1F
InChIInChI=1S/C13H8ClFN2O/c14-9-2-1-8(7-16)13(5-9)18-12-4-3-10(17)6-11(12)15/h1-6H,17H2
InChIKeyPWQHSQYYNYMBOQ-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.73
Rot. Bonds2

About 2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile

2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile (PubChem CID 63083303) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile
PubChem CID63083303
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1Oc1ccc(N)cc1F
InChIInChI=1S/C13H8ClFN2O/c14-9-2-1-8(7-16)13(5-9)18-12-4-3-10(17)6-11(12)15/h1-6H,17H2
InChIKeyPWQHSQYYNYMBOQ-UHFFFAOYSA-N
XLogP3.73
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(2-bromo-4-chlorophenoxy)benzonitrile
CID 61298397
2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile
CID 116541510
5-amino-2-(2,5-difluorophenoxy)benzonitrile
CID 55167360
5-amino-2-(5-bromo-2-fluorophenoxy)benzonitrile
CID 114671689
4-amino-2-fluorobenzonitrile;dihydrofluoride
CID 146317579
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638
2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile
CID 64914398
2-(4-amino-2,5-dimethylphenoxy)-4-chlorobenzonitrile
CID 55159990
2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile
CID 63082961
4-(4-amino-2-chlorophenoxy)-2-bromo-3-fluorobenzonitrile
CID 107537476
2-(2,4-difluorophenoxy)-4-methylbenzonitrile
CID 62303313
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855399

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile?
The IUPAC name of 2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile (CID 63083303) is 2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile.
What is the SMILES notation for 2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile?
The canonical SMILES for 2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile is N#Cc1ccc(Cl)cc1Oc1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile?
The InChIKey is PWQHSQYYNYMBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c14-9-2-1-8(7-16)13(5-9)18-12-4-3-10(17)6-11(12)15/h1-6H,17H2.
What are the key properties of 2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile?
2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile has a molecular weight of 262.67 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile is sourced from PubChem (CID 63083303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).