1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene

C14H9F5 — CID 118843388

IUPAC1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene
SMILESCc1cccc(C(F)(F)F)c1-c1cccc(F)c1F
InChIInChI=1S/C14H9F5/c1-8-4-2-6-10(14(17,18)19)12(8)9-5-3-7-11(15)13(9)16/h2-7H,1H3
InChIKeyDTXVMDZLXSAQRN-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.96
Rot. Bonds1

About 1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene

1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene (PubChem CID 118843388) has the molecular formula C14H9F5 and a molecular weight of 272.22 g/mol. Its IUPAC name is 1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene
PubChem CID118843388
Molecular FormulaC14H9F5
Molecular Weight272.22 g/mol
Exact Mass272.06
IUPAC Name1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene
SMILESCc1cccc(C(F)(F)F)c1-c1cccc(F)c1F
InChIInChI=1S/C14H9F5/c1-8-4-2-6-10(14(17,18)19)12(8)9-5-3-7-11(15)13(9)16/h2-7H,1H3
InChIKeyDTXVMDZLXSAQRN-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene
CID 134620923
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene
CID 143472614
1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene
CID 157221283
1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone
CID 68833018
1,2,3,4,5-pentafluoro-6-[2-methyl-3-(trifluoromethyl)phenyl]benzene
CID 134620901
1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
CID 134626767
2-(2-fluorophenyl)-1,3-dimethylbenzene
CID 22075461
4-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 119001740
2-(2,3-difluorophenyl)-3-(trifluoromethyl)pyridine
CID 170837725
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene (CID 118843388) is 1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene is Cc1cccc(C(F)(F)F)c1-c1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene?
The InChIKey is DTXVMDZLXSAQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5/c1-8-4-2-6-10(14(17,18)19)12(8)9-5-3-7-11(15)13(9)16/h2-7H,1H3.
What are the key properties of 1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene?
1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene has a molecular weight of 272.22 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 118843388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).