4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile

C14H7ClFNO2 — CID 107665713

IUPAC4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2cc(Cl)ccc2C=O)c(F)c1
InChIInChI=1S/C14H7ClFNO2/c15-11-3-2-10(8-18)14(6-11)19-13-4-1-9(7-17)5-12(13)16/h1-6,8H
InChIKeyJIDQQTJKVGUCEO-UHFFFAOYSA-N
MW275.67 g/mol
LogP3.96
Rot. Bonds3

About 4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile

4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile (PubChem CID 107665713) has the molecular formula C14H7ClFNO2 and a molecular weight of 275.67 g/mol. Its IUPAC name is 4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile
PubChem CID107665713
Molecular FormulaC14H7ClFNO2
Molecular Weight275.67 g/mol
Exact Mass275.01
IUPAC Name4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2cc(Cl)ccc2C=O)c(F)c1
InChIInChI=1S/C14H7ClFNO2/c15-11-3-2-10(8-18)14(6-11)19-13-4-1-9(7-17)5-12(13)16/h1-6,8H
InChIKeyJIDQQTJKVGUCEO-UHFFFAOYSA-N
XLogP3.96
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
5-chloro-2-(4-cyano-2-fluorophenoxy)benzoic acid
CID 61395759
3-(4-fluoro-2-methylphenoxy)-4-formylbenzonitrile
CID 126636524
4-(4-chloro-2-nitrophenoxy)-3-fluorobenzonitrile
CID 43657467
4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
CID 54880085
4-(4-bromo-2-chlorophenoxy)-3-fluorobenzonitrile
CID 43657480
4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde
CID 114844686
3-fluoro-4-(4-formyl-2-nitrophenoxy)benzonitrile
CID 107665695
3-chloro-4-(2,5-dichlorophenoxy)benzonitrile
CID 55223268
4-(3,4-dichlorophenoxy)-3-fluorobenzonitrile
CID 54897766
4-(4-chloro-2-formylphenoxy)-3,5-dimethylbenzonitrile
CID 114844943
4-(2-chloro-5-nitrophenoxy)-3-fluorobenzonitrile
CID 63992371

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile?
The IUPAC name of 4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile (CID 107665713) is 4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile?
The canonical SMILES for 4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile is N#Cc1ccc(Oc2cc(Cl)ccc2C=O)c(F)c1.
What is the InChIKey of 4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile?
The InChIKey is JIDQQTJKVGUCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFNO2/c15-11-3-2-10(8-18)14(6-11)19-13-4-1-9(7-17)5-12(13)16/h1-6,8H.
What are the key properties of 4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile?
4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile has a molecular weight of 275.67 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile is sourced from PubChem (CID 107665713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).