2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene

C12H12F6 — CID 21335736

IUPAC2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene
SMILESCc1ccc(CC(F)(F)CC(C)(F)F)c(F)c1F
InChIInChI=1S/C12H12F6/c1-7-3-4-8(10(14)9(7)13)5-12(17,18)6-11(2,15)16/h3-4H,5-6H2,1-2H3
InChIKeyFAAGFUWBRNWBBG-UHFFFAOYSA-N
MW270.22 g/mol
LogP4.50
Rot. Bonds4

About 2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene

2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene (PubChem CID 21335736) has the molecular formula C12H12F6 and a molecular weight of 270.22 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene
PubChem CID21335736
Molecular FormulaC12H12F6
Molecular Weight270.22 g/mol
Exact Mass270.08
IUPAC Name2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene
SMILESCc1ccc(CC(F)(F)CC(C)(F)F)c(F)c1F
InChIInChI=1S/C12H12F6/c1-7-3-4-8(10(14)9(7)13)5-12(17,18)6-11(2,15)16/h3-4H,5-6H2,1-2H3
InChIKeyFAAGFUWBRNWBBG-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene?
The IUPAC name of 2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene (CID 21335736) is 2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene?
The canonical SMILES for 2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene is Cc1ccc(CC(F)(F)CC(C)(F)F)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene?
The InChIKey is FAAGFUWBRNWBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6/c1-7-3-4-8(10(14)9(7)13)5-12(17,18)6-11(2,15)16/h3-4H,5-6H2,1-2H3.
What are the key properties of 2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene?
2,3-difluoro-1-methyl-4-(2,2,4,4-tetrafluoropentyl)benzene has a molecular weight of 270.22 g/mol, XLogP of 4.50, 4 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-(2,2,4,4-tetrafluoropentyl)benzene is sourced from PubChem (CID 21335736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).