4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile

C14H8BrF2NO — CID 82825940

IUPAC4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(OCc2ccccc2Br)c(F)c1
InChIInChI=1S/C14H8BrF2NO/c15-11-4-2-1-3-10(11)8-19-14-12(16)5-9(7-18)6-13(14)17/h1-6H,8H2
InChIKeyKPGXUOPJSNPQMC-UHFFFAOYSA-N
MW324.12 g/mol
LogP4.18
Rot. Bonds3

About 4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile

4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile (PubChem CID 82825940) has the molecular formula C14H8BrF2NO and a molecular weight of 324.12 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile
PubChem CID82825940
Molecular FormulaC14H8BrF2NO
Molecular Weight324.12 g/mol
Exact Mass322.98
IUPAC Name4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(OCc2ccccc2Br)c(F)c1
InChIInChI=1S/C14H8BrF2NO/c15-11-4-2-1-3-10(11)8-19-14-12(16)5-9(7-18)6-13(14)17/h1-6H,8H2
InChIKeyKPGXUOPJSNPQMC-UHFFFAOYSA-N
XLogP4.18
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.12
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile
CID 102818236
4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorobenzonitrile
CID 81283184
4-[(2-bromophenyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 81264837
4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile
CID 7670973
1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
CID 79882528
3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]-4-fluorobenzonitrile
CID 61392006
3-chloro-5-fluoro-4-phenylmethoxybenzonitrile
CID 117408938
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline
CID 43379358
2-fluoro-3-[(2,4,6-tribromophenoxy)methyl]benzonitrile
CID 107115160
4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 114672951

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile (CID 82825940) is 4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile is N#Cc1cc(F)c(OCc2ccccc2Br)c(F)c1.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile?
The InChIKey is KPGXUOPJSNPQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2NO/c15-11-4-2-1-3-10(11)8-19-14-12(16)5-9(7-18)6-13(14)17/h1-6H,8H2.
What are the key properties of 4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile?
4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile has a molecular weight of 324.12 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile is sourced from PubChem (CID 82825940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).