3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile

C14H9ClFNO2 — CID 11644815

IUPAC3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile
SMILESCOc1cc(F)ccc1Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C14H9ClFNO2/c1-18-14-7-10(16)3-5-13(14)19-12-4-2-9(8-17)6-11(12)15/h2-7H,1H3
InChIKeyDOQUEJRVBOBMBX-UHFFFAOYSA-N
MW277.68 g/mol
LogP4.15
Rot. Bonds3

About 3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile

3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile (PubChem CID 11644815) has the molecular formula C14H9ClFNO2 and a molecular weight of 277.68 g/mol. Its IUPAC name is 3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile
PubChem CID11644815
Molecular FormulaC14H9ClFNO2
Molecular Weight277.68 g/mol
Exact Mass277.03
IUPAC Name3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile
SMILESCOc1cc(F)ccc1Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C14H9ClFNO2/c1-18-14-7-10(16)3-5-13(14)19-12-4-2-9(8-17)6-11(12)15/h2-7H,1H3
InChIKeyDOQUEJRVBOBMBX-UHFFFAOYSA-N
XLogP4.15
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
CID 54880085
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
4-amino-3-(2-chloro-4-fluorophenoxy)benzonitrile
CID 104712633
4-(2-chloro-4-nitrophenoxy)-3-methoxybenzonitrile
CID 9195338
3-chloro-4-(2,4-dimethylphenoxy)benzonitrile;3-chloro-4-(2-methoxy-5-methylphenoxy)benzonitrile
CID 69464154
3-fluoro-4-(2-methoxyphenoxy)benzonitrile
CID 43657455
2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile
CID 62303478
4-(4-bromo-2-fluorophenoxy)-3-chlorobenzonitrile
CID 55180064
3-(2-chloro-4-fluorophenoxy)-4-nitrobenzonitrile
CID 133477901
3-methoxy-4-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 102749502
3-chloro-4-(2,5-dichlorophenoxy)benzonitrile
CID 55223268
3-chloro-4-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 61389153

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile?
The IUPAC name of 3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile (CID 11644815) is 3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile.
What is the SMILES notation for 3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile?
The canonical SMILES for 3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile is COc1cc(F)ccc1Oc1ccc(C#N)cc1Cl.
What is the InChIKey of 3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile?
The InChIKey is DOQUEJRVBOBMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO2/c1-18-14-7-10(16)3-5-13(14)19-12-4-2-9(8-17)6-11(12)15/h2-7H,1H3.
What are the key properties of 3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile?
3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile has a molecular weight of 277.68 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile is sourced from PubChem (CID 11644815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).