(3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite

C19H14F3O3P — CID 138739365

IUPAC(3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite
SMILESCc1ccc(OP(Oc2ccccc2)Oc2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C19H14F3O3P/c1-13-7-8-15(11-18(13)21)24-26(23-14-5-3-2-4-6-14)25-16-9-10-17(20)19(22)12-16/h2-12H,1H3
InChIKeyPTOAZSARESIVTI-UHFFFAOYSA-N
MW378.29 g/mol
LogP6.18
Rot. Bonds6

About (3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite

(3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite (PubChem CID 138739365) has the molecular formula C19H14F3O3P and a molecular weight of 378.29 g/mol. Its IUPAC name is (3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite.

Molecular Properties

Compound Name(3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite
PubChem CID138739365
Molecular FormulaC19H14F3O3P
Molecular Weight378.29 g/mol
Exact Mass378.06
IUPAC Name(3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite
SMILESCc1ccc(OP(Oc2ccccc2)Oc2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C19H14F3O3P/c1-13-7-8-15(11-18(13)21)24-26(23-14-5-3-2-4-6-14)25-16-9-10-17(20)19(22)12-16/h2-12H,1H3
InChIKeyPTOAZSARESIVTI-UHFFFAOYSA-N
XLogP6.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.29
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite?
The IUPAC name of (3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite (CID 138739365) is (3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite.
What is the SMILES notation for (3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite?
The canonical SMILES for (3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite is Cc1ccc(OP(Oc2ccccc2)Oc2ccc(F)c(F)c2)cc1F.
What is the InChIKey of (3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite?
The InChIKey is PTOAZSARESIVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3O3P/c1-13-7-8-15(11-18(13)21)24-26(23-14-5-3-2-4-6-14)25-16-9-10-17(20)19(22)12-16/h2-12H,1H3.
What are the key properties of (3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite?
(3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite has a molecular weight of 378.29 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl) (3-fluoro-4-methylphenyl) phenyl phosphite is sourced from PubChem (CID 138739365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).