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

C13H7F5 — CID 118991852

IUPAC1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
SMILESFc1cccc(F)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H7F5/c14-10-6-3-7-11(15)12(10)8-4-1-2-5-9(8)13(16,17)18/h1-7H
InChIKeyFBKXFZFNFJCIGR-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.65
Rot. Bonds1

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

1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 118991852) has the molecular formula C13H7F5 and a molecular weight of 258.19 g/mol. Its IUPAC name is 1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
PubChem CID118991852
Molecular FormulaC13H7F5
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
SMILESFc1cccc(F)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H7F5/c14-10-6-3-7-11(15)12(10)8-4-1-2-5-9(8)13(16,17)18/h1-7H
InChIKeyFBKXFZFNFJCIGR-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

1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
CID 134626767
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1,2,4,5-tetrafluoro-3-methyl-6-[2-(trifluoromethyl)phenyl]benzene
CID 134628456
1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene
CID 118843388
2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene
CID 118814732
1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene
CID 134631115
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene
CID 158879468
dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)
CID 172725076
[2-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]methanamine
CID 46313291
[3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631566
N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline
CID 118813099

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene (CID 118991852) is 1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene is Fc1cccc(F)c1-c1ccccc1C(F)(F)F.
What is the InChIKey of 1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is FBKXFZFNFJCIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5/c14-10-6-3-7-11(15)12(10)8-4-1-2-5-9(8)13(16,17)18/h1-7H.
What are the key properties of 1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene?
1,3-difluoro-2-[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 1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 118991852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).