1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene

C13H7F5 — CID 91807915

IUPAC1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
SMILESFc1ccc(-c2ccccc2C(F)(F)F)cc1F
InChIInChI=1S/C13H7F5/c14-11-6-5-8(7-12(11)15)9-3-1-2-4-10(9)13(16,17)18/h1-7H
InChIKeyRCELMHOSTQWHGE-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.65
Rot. Bonds1

About 1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene

1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 91807915) has the molecular formula C13H7F5 and a molecular weight of 258.19 g/mol. Its IUPAC name is 1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
PubChem CID91807915
Molecular FormulaC13H7F5
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
SMILESFc1ccc(-c2ccccc2C(F)(F)F)cc1F
InChIInChI=1S/C13H7F5/c14-11-6-5-8(7-12(11)15)9-3-1-2-4-10(9)13(16,17)18/h1-7H
InChIKeyRCELMHOSTQWHGE-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269
1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
CID 118846513
[2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 134628152
4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol
CID 118823457
2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289630
1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene
CID 158879468
2-methyl-4-[2-(trifluoromethyl)phenyl]phenol
CID 53219065
1,2-dimethyl-4-[2-(trifluoromethyl)phenyl]benzene;ethane;methanol
CID 143634112
1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 134628313
5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole
CID 123601065

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene (CID 91807915) is 1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene is Fc1ccc(-c2ccccc2C(F)(F)F)cc1F.
What is the InChIKey of 1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is RCELMHOSTQWHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5/c14-11-6-5-8(7-12(11)15)9-3-1-2-4-10(9)13(16,17)18/h1-7H.
What are the key properties of 1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene?
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 258.19 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 91807915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).