3,5-difluoro-4-phenylmethoxybenzonitrile

C14H9F2NO — CID 57445722

IUPAC3,5-difluoro-4-phenylmethoxybenzonitrile
SMILESN#Cc1cc(F)c(OCc2ccccc2)c(F)c1
InChIInChI=1S/C14H9F2NO/c15-12-6-11(8-17)7-13(16)14(12)18-9-10-4-2-1-3-5-10/h1-7H,9H2
InChIKeyQWXXHAAELRDMNA-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.42
Rot. Bonds3

About 3,5-difluoro-4-phenylmethoxybenzonitrile

3,5-difluoro-4-phenylmethoxybenzonitrile (PubChem CID 57445722) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 3,5-difluoro-4-phenylmethoxybenzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-phenylmethoxybenzonitrile
PubChem CID57445722
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name3,5-difluoro-4-phenylmethoxybenzonitrile
SMILESN#Cc1cc(F)c(OCc2ccccc2)c(F)c1
InChIInChI=1S/C14H9F2NO/c15-12-6-11(8-17)7-13(16)14(12)18-9-10-4-2-1-3-5-10/h1-7H,9H2
InChIKeyQWXXHAAELRDMNA-UHFFFAOYSA-N
XLogP3.42
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-fluoro-4-phenylmethoxybenzonitrile
CID 117408938
4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile
CID 82825940
3-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]benzonitrile
CID 79888660
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
4-bromo-1-(3,5-difluoro-4-phenylmethoxyphenyl)indazole-6-carbonitrile
CID 67245855
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
3-[(2,3,4,5,6-pentafluorophenoxy)methyl]benzonitrile
CID 43607862
5-[(4-cyano-2,6-difluorophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile
CID 155672079
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
4-[[3-(bromomethyl)-5-phenylmethoxyphenoxy]methyl]benzonitrile
CID 19995075
4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile
CID 106485841

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-phenylmethoxybenzonitrile?
The IUPAC name of 3,5-difluoro-4-phenylmethoxybenzonitrile (CID 57445722) is 3,5-difluoro-4-phenylmethoxybenzonitrile.
What is the SMILES notation for 3,5-difluoro-4-phenylmethoxybenzonitrile?
The canonical SMILES for 3,5-difluoro-4-phenylmethoxybenzonitrile is N#Cc1cc(F)c(OCc2ccccc2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-phenylmethoxybenzonitrile?
The InChIKey is QWXXHAAELRDMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/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 3,5-difluoro-4-phenylmethoxybenzonitrile?
3,5-difluoro-4-phenylmethoxybenzonitrile has a molecular weight of 245.23 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-phenylmethoxybenzonitrile is sourced from PubChem (CID 57445722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).