[4-(4-cyano-3,5-difluorophenyl)phenyl] formate

C14H7F2NO2 — CID 121327810

IUPAC[4-(4-cyano-3,5-difluorophenyl)phenyl] formate
SMILESN#Cc1c(F)cc(-c2ccc(OC=O)cc2)cc1F
InChIInChI=1S/C14H7F2NO2/c15-13-5-10(6-14(16)12(13)7-17)9-1-3-11(4-2-9)19-8-18/h1-6,8H
InChIKeyCCJNHFFBPOBGNO-UHFFFAOYSA-N
MW259.21 g/mol
LogP3.04
Rot. Bonds3

About [4-(4-cyano-3,5-difluorophenyl)phenyl] formate

[4-(4-cyano-3,5-difluorophenyl)phenyl] formate (PubChem CID 121327810) has the molecular formula C14H7F2NO2 and a molecular weight of 259.21 g/mol. Its IUPAC name is [4-(4-cyano-3,5-difluorophenyl)phenyl] formate.

Molecular Properties

Compound Name[4-(4-cyano-3,5-difluorophenyl)phenyl] formate
PubChem CID121327810
Molecular FormulaC14H7F2NO2
Molecular Weight259.21 g/mol
Exact Mass259.04
IUPAC Name[4-(4-cyano-3,5-difluorophenyl)phenyl] formate
SMILESN#Cc1c(F)cc(-c2ccc(OC=O)cc2)cc1F
InChIInChI=1S/C14H7F2NO2/c15-13-5-10(6-14(16)12(13)7-17)9-1-3-11(4-2-9)19-8-18/h1-6,8H
InChIKeyCCJNHFFBPOBGNO-UHFFFAOYSA-N
XLogP3.04
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-cyano-3,5-difluorophenyl)phenyl] formate?
The IUPAC name of [4-(4-cyano-3,5-difluorophenyl)phenyl] formate (CID 121327810) is [4-(4-cyano-3,5-difluorophenyl)phenyl] formate.
What is the SMILES notation for [4-(4-cyano-3,5-difluorophenyl)phenyl] formate?
The canonical SMILES for [4-(4-cyano-3,5-difluorophenyl)phenyl] formate is N#Cc1c(F)cc(-c2ccc(OC=O)cc2)cc1F.
What is the InChIKey of [4-(4-cyano-3,5-difluorophenyl)phenyl] formate?
The InChIKey is CCJNHFFBPOBGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2NO2/c15-13-5-10(6-14(16)12(13)7-17)9-1-3-11(4-2-9)19-8-18/h1-6,8H.
What are the key properties of [4-(4-cyano-3,5-difluorophenyl)phenyl] formate?
[4-(4-cyano-3,5-difluorophenyl)phenyl] formate has a molecular weight of 259.21 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyano-3,5-difluorophenyl)phenyl] formate is sourced from PubChem (CID 121327810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).