1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene

C13H7F5 — CID 46314542

IUPAC1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene
SMILESFc1ccccc1-c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C13H7F5/c14-10-6-2-1-4-8(10)9-5-3-7-11(15)12(9)13(16,17)18/h1-7H
InChIKeySBXJNHJJHFGMKG-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.65
Rot. Bonds1

About 1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene

1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene (PubChem CID 46314542) has the molecular formula C13H7F5 and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene
PubChem CID46314542
Molecular FormulaC13H7F5
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene
SMILESFc1ccccc1-c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C13H7F5/c14-10-6-2-1-4-8(10)9-5-3-7-11(15)12(9)13(16,17)18/h1-7H
InChIKeySBXJNHJJHFGMKG-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-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene
CID 119018049
2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene
CID 119002759
1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46314536
4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117401092
ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene
CID 143902908
5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 117364136
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
1-bromo-2-[2-(2-fluorophenyl)phenyl]benzene
CID 168811602
3-[3-amino-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 18793545
1-fluoro-3-(2-fluorophenyl)-2-iodobenzene
CID 46313915
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene (CID 46314542) is 1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene is Fc1ccccc1-c1cccc(F)c1C(F)(F)F.
What is the InChIKey of 1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene?
The InChIKey is SBXJNHJJHFGMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5/c14-10-6-2-1-4-8(10)9-5-3-7-11(15)12(9)13(16,17)18/h1-7H.
What are the key properties of 1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene?
1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)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-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 46314542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).