3-chloro-5-fluoro-4-phenylmethoxybenzonitrile

C14H9ClFNO — CID 117408938

IUPAC3-chloro-5-fluoro-4-phenylmethoxybenzonitrile
SMILESN#Cc1cc(F)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H9ClFNO/c15-12-6-11(8-17)7-13(16)14(12)18-9-10-4-2-1-3-5-10/h1-7H,9H2
InChIKeyXEZVCFLCZYMGEE-UHFFFAOYSA-N
MW261.68 g/mol
LogP3.93
Rot. Bonds3

About 3-chloro-5-fluoro-4-phenylmethoxybenzonitrile

3-chloro-5-fluoro-4-phenylmethoxybenzonitrile (PubChem CID 117408938) has the molecular formula C14H9ClFNO and a molecular weight of 261.68 g/mol. Its IUPAC name is 3-chloro-5-fluoro-4-phenylmethoxybenzonitrile.

Molecular Properties

Compound Name3-chloro-5-fluoro-4-phenylmethoxybenzonitrile
PubChem CID117408938
Molecular FormulaC14H9ClFNO
Molecular Weight261.68 g/mol
Exact Mass261.04
IUPAC Name3-chloro-5-fluoro-4-phenylmethoxybenzonitrile
SMILESN#Cc1cc(F)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H9ClFNO/c15-12-6-11(8-17)7-13(16)14(12)18-9-10-4-2-1-3-5-10/h1-7H,9H2
InChIKeyXEZVCFLCZYMGEE-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

3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
4-[(3-bromophenyl)methoxy]-3,5-dichlorobenzonitrile
CID 91683303
4-[(2,6-dichloro-4-cyanophenoxy)methyl]benzoic acid
CID 3924196
3-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)propan-1-amine
CID 117474017
1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 117448854
3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxybenzonitrile
CID 7893328
3-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]benzonitrile
CID 79888660
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile
CID 82825940
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
4-[[4-(aminomethyl)-2,6-difluorophenoxy]methyl]-3-chlorobenzonitrile
CID 102663702

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-4-phenylmethoxybenzonitrile?
The IUPAC name of 3-chloro-5-fluoro-4-phenylmethoxybenzonitrile (CID 117408938) is 3-chloro-5-fluoro-4-phenylmethoxybenzonitrile.
What is the SMILES notation for 3-chloro-5-fluoro-4-phenylmethoxybenzonitrile?
The canonical SMILES for 3-chloro-5-fluoro-4-phenylmethoxybenzonitrile is N#Cc1cc(F)c(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-4-phenylmethoxybenzonitrile?
The InChIKey is XEZVCFLCZYMGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO/c15-12-6-11(8-17)7-13(16)14(12)18-9-10-4-2-1-3-5-10/h1-7H,9H2.
What are the key properties of 3-chloro-5-fluoro-4-phenylmethoxybenzonitrile?
3-chloro-5-fluoro-4-phenylmethoxybenzonitrile 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 3-chloro-5-fluoro-4-phenylmethoxybenzonitrile is sourced from PubChem (CID 117408938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).