2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene

C20H11F5O — CID 134419743

IUPAC2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene
SMILESFC(F)=COc1c(F)cc(-c2ccc(-c3ccccc3)cc2F)cc1F
InChIInChI=1S/C20H11F5O/c21-16-8-13(12-4-2-1-3-5-12)6-7-15(16)14-9-17(22)20(18(23)10-14)26-11-19(24)25/h1-11H
InChIKeyLMGMBRURXLROEQ-UHFFFAOYSA-N
MW362.30 g/mol
LogP6.55
Rot. Bonds4

About 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene

2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene (PubChem CID 134419743) has the molecular formula C20H11F5O and a molecular weight of 362.30 g/mol. Its IUPAC name is 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene.

Molecular Properties

Compound Name2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene
PubChem CID134419743
Molecular FormulaC20H11F5O
Molecular Weight362.30 g/mol
Exact Mass362.07
IUPAC Name2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene
SMILESFC(F)=COc1c(F)cc(-c2ccc(-c3ccccc3)cc2F)cc1F
InChIInChI=1S/C20H11F5O/c21-16-8-13(12-4-2-1-3-5-12)6-7-15(16)14-9-17(22)20(18(23)10-14)26-11-19(24)25/h1-11H
InChIKeyLMGMBRURXLROEQ-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene?
The IUPAC name of 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene (CID 134419743) is 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene.
What is the SMILES notation for 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene?
The canonical SMILES for 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene is FC(F)=COc1c(F)cc(-c2ccc(-c3ccccc3)cc2F)cc1F.
What is the InChIKey of 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene?
The InChIKey is LMGMBRURXLROEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F5O/c21-16-8-13(12-4-2-1-3-5-12)6-7-15(16)14-9-17(22)20(18(23)10-14)26-11-19(24)25/h1-11H.
What are the key properties of 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene?
2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene has a molecular weight of 362.30 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene is sourced from PubChem (CID 134419743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).