1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene

C13H6F6 — CID 118826542

IUPAC1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
SMILESFc1ccc(C(F)(F)F)cc1-c1cccc(F)c1F
InChIInChI=1S/C13H6F6/c14-10-5-4-7(13(17,18)19)6-9(10)8-2-1-3-11(15)12(8)16/h1-6H
InChIKeyJNVJCXPTXZBMAG-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.79
Rot. Bonds1

About 1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene

1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene (PubChem CID 118826542) has the molecular formula C13H6F6 and a molecular weight of 276.18 g/mol. Its IUPAC name is 1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
PubChem CID118826542
Molecular FormulaC13H6F6
Molecular Weight276.18 g/mol
Exact Mass276.04
IUPAC Name1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
SMILESFc1ccc(C(F)(F)F)cc1-c1cccc(F)c1F
InChIInChI=1S/C13H6F6/c14-10-5-4-7(13(17,18)19)6-9(10)8-2-1-3-11(15)12(8)16/h1-6H
InChIKeyJNVJCXPTXZBMAG-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46314536
1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene
CID 134630207
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
2-(2-fluoro-3-methylphenyl)-4-(trifluoromethyl)phenol
CID 172879488
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 134629587
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118822699
4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene
CID 58049398
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400
2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648591
6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 122358380

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene (CID 118826542) is 1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene is Fc1ccc(C(F)(F)F)cc1-c1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene?
The InChIKey is JNVJCXPTXZBMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6/c14-10-5-4-7(13(17,18)19)6-9(10)8-2-1-3-11(15)12(8)16/h1-6H.
What are the key properties of 1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene?
1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene has a molecular weight of 276.18 g/mol, XLogP of 4.79, 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-fluoro-5-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 118826542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).