2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile

C14H9ClFNO — CID 103759928

IUPAC2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1COc1ccc(Cl)cc1
InChIInChI=1S/C14H9ClFNO/c15-12-2-5-14(6-3-12)18-9-11-7-13(16)4-1-10(11)8-17/h1-7H,9H2
InChIKeyPMDRKVWYKKKUIB-UHFFFAOYSA-N
MW261.68 g/mol
LogP3.93
Rot. Bonds3

About 2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile

2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile (PubChem CID 103759928) has the molecular formula C14H9ClFNO and a molecular weight of 261.68 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile
PubChem CID103759928
Molecular FormulaC14H9ClFNO
Molecular Weight261.68 g/mol
Exact Mass261.04
IUPAC Name2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1COc1ccc(Cl)cc1
InChIInChI=1S/C14H9ClFNO/c15-12-2-5-14(6-3-12)18-9-11-7-13(16)4-1-10(11)8-17/h1-7H,9H2
InChIKeyPMDRKVWYKKKUIB-UHFFFAOYSA-N
XLogP3.93
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(1-aminoethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902665
2-[(3-cyano-5-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 103577959
2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107902675
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile
CID 103760279
2-[[2-(2-aminoethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107906833
2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile
CID 114014507
4-fluoro-2-[[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]methyl]benzonitrile
CID 107906027
2-[[4-(ethylaminomethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902677
2-[[4-bromo-3-(bromomethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107906263
2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
CID 102724027
2-(1,3-benzodioxol-5-yloxymethyl)-4-fluorobenzonitrile
CID 103759935
4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile
CID 114014859

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile (CID 103759928) is 2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile is N#Cc1ccc(F)cc1COc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile?
The InChIKey is PMDRKVWYKKKUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO/c15-12-2-5-14(6-3-12)18-9-11-7-13(16)4-1-10(11)8-17/h1-7H,9H2.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile?
2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile has a molecular weight of 261.68 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile is sourced from PubChem (CID 103759928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).