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

C13H8F4 — CID 46311910

IUPAC1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFc1ccccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8F4/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15,16)17/h1-8H
InChIKeyWGPYCOWUPPZJRC-UHFFFAOYSA-N
MW240.20 g/mol
LogP4.51
Rot. Bonds1

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

1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 46311910) has the molecular formula C13H8F4 and a molecular weight of 240.20 g/mol. Its IUPAC name is 1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
PubChem CID46311910
Molecular FormulaC13H8F4
Molecular Weight240.20 g/mol
Exact Mass240.06
IUPAC Name1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFc1ccccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8F4/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15,16)17/h1-8H
InChIKeyWGPYCOWUPPZJRC-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-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
[2-[3-(trifluoromethyl)phenyl]phenyl]phosphane
CID 175247620
2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene
CID 134620317
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400
1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46314536
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
4-ethynyl-1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 155288738
4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 52984137
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene (CID 46311910) is 1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene is Fc1ccccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is WGPYCOWUPPZJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15,16)17/h1-8H.
What are the key properties of 1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene?
1-fluoro-2-[3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 46311910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).