1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene

C13H8ClF3 — CID 103587069

IUPAC1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene
SMILESCc1cc(F)c(-c2c(F)cccc2Cl)cc1F
InChIInChI=1S/C13H8ClF3/c1-7-5-12(17)8(6-11(7)16)13-9(14)3-2-4-10(13)15/h2-6H,1H3
InChIKeyUQMFKNJHTLBZFW-UHFFFAOYSA-N
MW256.65 g/mol
LogP4.73
Rot. Bonds1

About 1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene

1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene (PubChem CID 103587069) has the molecular formula C13H8ClF3 and a molecular weight of 256.65 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene
PubChem CID103587069
Molecular FormulaC13H8ClF3
Molecular Weight256.65 g/mol
Exact Mass256.03
IUPAC Name1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene
SMILESCc1cc(F)c(-c2c(F)cccc2Cl)cc1F
InChIInChI=1S/C13H8ClF3/c1-7-5-12(17)8(6-11(7)16)13-9(14)3-2-4-10(13)15/h2-6H,1H3
InChIKeyUQMFKNJHTLBZFW-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.65
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene (CID 103587069) is 1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene is Cc1cc(F)c(-c2c(F)cccc2Cl)cc1F.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene?
The InChIKey is UQMFKNJHTLBZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3/c1-7-5-12(17)8(6-11(7)16)13-9(14)3-2-4-10(13)15/h2-6H,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene?
1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene has a molecular weight of 256.65 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene is sourced from PubChem (CID 103587069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).