4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile

C20H13F2NO — CID 175686453

IUPAC4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile
SMILESN#Cc1ccc(-c2cc(F)ccc2F)cc1OCc1ccccc1
InChIInChI=1S/C20H13F2NO/c21-17-8-9-19(22)18(11-17)15-6-7-16(12-23)20(10-15)24-13-14-4-2-1-3-5-14/h1-11H,13H2
InChIKeyOMJFROUUFSBHEQ-UHFFFAOYSA-N
MW321.33 g/mol
LogP5.08
Rot. Bonds4

About 4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile

4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile (PubChem CID 175686453) has the molecular formula C20H13F2NO and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile
PubChem CID175686453
Molecular FormulaC20H13F2NO
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile
SMILESN#Cc1ccc(-c2cc(F)ccc2F)cc1OCc1ccccc1
InChIInChI=1S/C20H13F2NO/c21-17-8-9-19(22)18(11-17)15-6-7-16(12-23)20(10-15)24-13-14-4-2-1-3-5-14/h1-11H,13H2
InChIKeyOMJFROUUFSBHEQ-UHFFFAOYSA-N
XLogP5.08
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.33
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile
CID 175686449
3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
4-(aminomethyl)-2-phenylmethoxybenzonitrile
CID 22476142
3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile
CID 169493439
2-phenylmethoxybenzonitrile;propane
CID 142369146
4-(2-fluorophenyl)-2-phenylmethoxyaniline
CID 171921752
4-nitro-2-phenylmethoxybenzonitrile
CID 11780048
5-(2,5-dimethylphenyl)-2-phenylmethoxybenzonitrile
CID 175686489
4-(2-cyanoacetyl)-5-fluoro-2-phenylmethoxybenzonitrile
CID 142080887
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
2-phenylmethoxy-5-pyridin-4-ylbenzonitrile
CID 69398181
4-azido-2-phenylmethoxybenzonitrile
CID 150250113

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile?
The IUPAC name of 4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile (CID 175686453) is 4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile.
What is the SMILES notation for 4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile?
The canonical SMILES for 4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile is N#Cc1ccc(-c2cc(F)ccc2F)cc1OCc1ccccc1.
What is the InChIKey of 4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile?
The InChIKey is OMJFROUUFSBHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NO/c21-17-8-9-19(22)18(11-17)15-6-7-16(12-23)20(10-15)24-13-14-4-2-1-3-5-14/h1-11H,13H2.
What are the key properties of 4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile?
4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile has a molecular weight of 321.33 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile is sourced from PubChem (CID 175686453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).