2-(3-chlorophenoxy)-6-fluorobenzonitrile

C13H7ClFNO — CID 24777412

IUPAC2-(3-chlorophenoxy)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1cccc(Cl)c1
InChIInChI=1S/C13H7ClFNO/c14-9-3-1-4-10(7-9)17-13-6-2-5-12(15)11(13)8-16/h1-7H
InChIKeyHLAKPPPQWRRFSM-UHFFFAOYSA-N
MW247.66 g/mol
LogP4.14
Rot. Bonds2

About 2-(3-chlorophenoxy)-6-fluorobenzonitrile

2-(3-chlorophenoxy)-6-fluorobenzonitrile (PubChem CID 24777412) has the molecular formula C13H7ClFNO and a molecular weight of 247.66 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-6-fluorobenzonitrile
PubChem CID24777412
Molecular FormulaC13H7ClFNO
Molecular Weight247.66 g/mol
Exact Mass247.02
IUPAC Name2-(3-chlorophenoxy)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1cccc(Cl)c1
InChIInChI=1S/C13H7ClFNO/c14-9-3-1-4-10(7-9)17-13-6-2-5-12(15)11(13)8-16/h1-7H
InChIKeyHLAKPPPQWRRFSM-UHFFFAOYSA-N
XLogP4.14
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(chloromethyl)phenoxy]-6-fluorobenzonitrile
CID 112594505
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile
CID 79512940
3-(2-cyano-3-fluorophenoxy)benzoic acid
CID 63943454
2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile
CID 79513408
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
2-[5-chloro-2-(hydroxymethyl)phenoxy]-6-fluorobenzonitrile
CID 114846109
2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile
CID 133384052
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
2-[(5-chloro-2-pyridinyl)oxy]-6-fluorobenzonitrile
CID 66234121

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-6-fluorobenzonitrile?
The IUPAC name of 2-(3-chlorophenoxy)-6-fluorobenzonitrile (CID 24777412) is 2-(3-chlorophenoxy)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(3-chlorophenoxy)-6-fluorobenzonitrile?
The canonical SMILES for 2-(3-chlorophenoxy)-6-fluorobenzonitrile is N#Cc1c(F)cccc1Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-6-fluorobenzonitrile?
The InChIKey is HLAKPPPQWRRFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFNO/c14-9-3-1-4-10(7-9)17-13-6-2-5-12(15)11(13)8-16/h1-7H.
What are the key properties of 2-(3-chlorophenoxy)-6-fluorobenzonitrile?
2-(3-chlorophenoxy)-6-fluorobenzonitrile has a molecular weight of 247.66 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-6-fluorobenzonitrile is sourced from PubChem (CID 24777412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).