1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene

C13H7F5 — CID 46314536

IUPAC1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
SMILESFc1ccccc1-c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H7F5/c14-11-4-2-1-3-9(11)10-7-8(13(16,17)18)5-6-12(10)15/h1-7H
InChIKeyNCQXQNCVXOCWNB-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.65
Rot. Bonds1

About 1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene

1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene (PubChem CID 46314536) has the molecular formula C13H7F5 and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
PubChem CID46314536
Molecular FormulaC13H7F5
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
SMILESFc1ccccc1-c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H7F5/c14-11-4-2-1-3-9(11)10-7-8(13(16,17)18)5-6-12(10)15/h1-7H
InChIKeyNCQXQNCVXOCWNB-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

1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 118826542
4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene
CID 58049398
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648591
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163
2-(2-fluorophenyl)-4-(trifluoromethyl)pyridine
CID 175224381
[3-(2-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870563
1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene
CID 46314542
4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene
CID 58049383
2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67481476
6-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 122358380

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene (CID 46314536) is 1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene is Fc1ccccc1-c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene?
The InChIKey is NCQXQNCVXOCWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5/c14-11-4-2-1-3-9(11)10-7-8(13(16,17)18)5-6-12(10)15/h1-7H.
What are the key properties of 1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene?
1-fluoro-2-(2-fluorophenyl)-4-(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-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 46314536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).