2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene

C15H11F5 — CID 155200965

IUPAC2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene
SMILESCc1ccc(CCc2cc(F)c(F)cc2F)c(F)c1F
InChIInChI=1S/C15H11F5/c1-8-2-3-9(15(20)14(8)19)4-5-10-6-12(17)13(18)7-11(10)16/h2-3,6-7H,4-5H2,1H3
InChIKeyOXPJGHZUVDSMJC-UHFFFAOYSA-N
MW286.24 g/mol
LogP4.48
Rot. Bonds3

About 2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene

2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene (PubChem CID 155200965) has the molecular formula C15H11F5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene
PubChem CID155200965
Molecular FormulaC15H11F5
Molecular Weight286.24 g/mol
Exact Mass286.08
IUPAC Name2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene
SMILESCc1ccc(CCc2cc(F)c(F)cc2F)c(F)c1F
InChIInChI=1S/C15H11F5/c1-8-2-3-9(15(20)14(8)19)4-5-10-6-12(17)13(18)7-11(10)16/h2-3,6-7H,4-5H2,1H3
InChIKeyOXPJGHZUVDSMJC-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene?
The IUPAC name of 2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene (CID 155200965) is 2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene?
The canonical SMILES for 2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene is Cc1ccc(CCc2cc(F)c(F)cc2F)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene?
The InChIKey is OXPJGHZUVDSMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5/c1-8-2-3-9(15(20)14(8)19)4-5-10-6-12(17)13(18)7-11(10)16/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene?
2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene has a molecular weight of 286.24 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene is sourced from PubChem (CID 155200965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).