(2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate

C15H10F4O2 — CID 20705660

IUPAC(2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate
SMILESCc1ccc(OC(=O)c2ccc(C)c(F)c2F)c(F)c1F
InChIInChI=1S/C15H10F4O2/c1-7-3-5-9(13(18)11(7)16)15(20)21-10-6-4-8(2)12(17)14(10)19/h3-6H,1-2H3
InChIKeyQXCPHPRWXZRXPD-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.08
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate

(2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate (PubChem CID 20705660) has the molecular formula C15H10F4O2 and a molecular weight of 298.24 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate
PubChem CID20705660
Molecular FormulaC15H10F4O2
Molecular Weight298.24 g/mol
Exact Mass298.06
IUPAC Name(2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate
SMILESCc1ccc(OC(=O)c2ccc(C)c(F)c2F)c(F)c1F
InChIInChI=1S/C15H10F4O2/c1-7-3-5-9(13(18)11(7)16)15(20)21-10-6-4-8(2)12(17)14(10)19/h3-6H,1-2H3
InChIKeyQXCPHPRWXZRXPD-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,3-difluoro-4-methylphenyl) 4-(2,3-difluoro-4-methylphenyl)benzoate
CID 20621895
(2-fluoro-3-methylphenyl) 2,3,4-trimethoxybenzoate
CID 75451380
[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexen-1-yl]-2,3-difluorophenyl] 2,3-difluoro-4-propoxybenzoate
CID 88856517
ethyl 2,3-difluoro-4-propan-2-yloxybenzoate
CID 163198291
[2-methyl-4-(4-methylphenyl)phenyl] 2,3,4,5-tetrafluorobenzoate
CID 2470959
(2,2,3,3-tetrafluoro-4-methyl-1-bicyclo[2.2.2]octanyl) 2,3-difluoro-4-methylbenzoate
CID 59480864
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
1-(2,3-difluoro-4-methylphenyl)-2,2-dimethoxyethanone
CID 107512699
2,3-difluoro-N-methoxy-4-methylbenzamide
CID 168957228
[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexen-1-yl]-2,3-difluorophenyl] 2,3-difluoro-4-hexoxybenzoate
CID 88856521
(2,3-difluoro-4-methylphenyl) 4-iodocyclohexane-1-carboxylate
CID 118336803
[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]cyclohexen-1-yl] 2,3-difluoro-4-methylbenzoate
CID 88856374

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate?
The IUPAC name of (2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate (CID 20705660) is (2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate?
The canonical SMILES for (2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate is Cc1ccc(OC(=O)c2ccc(C)c(F)c2F)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate?
The InChIKey is QXCPHPRWXZRXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O2/c1-7-3-5-9(13(18)11(7)16)15(20)21-10-6-4-8(2)12(17)14(10)19/h3-6H,1-2H3.
What are the key properties of (2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate?
(2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate has a molecular weight of 298.24 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl) 2,3-difluoro-4-methylbenzoate is sourced from PubChem (CID 20705660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).