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

C13H8F4 — CID 46314964

IUPAC1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
SMILESFc1ccc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C13H8F4/c14-12-7-6-10(13(15,16)17)8-11(12)9-4-2-1-3-5-9/h1-8H
InChIKeyCHASCIBSWSMEOQ-UHFFFAOYSA-N
MW240.20 g/mol
LogP4.51
Rot. Bonds1

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

1-fluoro-2-phenyl-4-(trifluoromethyl)benzene (PubChem CID 46314964) has the molecular formula C13H8F4 and a molecular weight of 240.20 g/mol. Its IUPAC name is 1-fluoro-2-phenyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
PubChem CID46314964
Molecular FormulaC13H8F4
Molecular Weight240.20 g/mol
Exact Mass240.06
IUPAC Name1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
SMILESFc1ccc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C13H8F4/c14-12-7-6-10(13(15,16)17)8-11(12)9-4-2-1-3-5-9/h1-8H
InChIKeyCHASCIBSWSMEOQ-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46314536
4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde
CID 83810230
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 118826542
4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 52984137
2-phenyl-4-(trifluoromethyl)benzenesulfinic acid
CID 174890866
2-methyl-1-phenyl-4-(trifluoromethyl)benzene;sulfanol
CID 174961722
2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648591
2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
CID 19702469
4-ethynyl-1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 155288738
4-fluoro-3-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 54912239
1-[4-[2-fluoro-5-(trifluoromethyl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
CID 141164466

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-phenyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-2-phenyl-4-(trifluoromethyl)benzene (CID 46314964) is 1-fluoro-2-phenyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-2-phenyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-2-phenyl-4-(trifluoromethyl)benzene is Fc1ccc(C(F)(F)F)cc1-c1ccccc1.
What is the InChIKey of 1-fluoro-2-phenyl-4-(trifluoromethyl)benzene?
The InChIKey is CHASCIBSWSMEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4/c14-12-7-6-10(13(15,16)17)8-11(12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 1-fluoro-2-phenyl-4-(trifluoromethyl)benzene?
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene has a molecular weight of 240.20 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-phenyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 46314964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).