1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene

C19H13F3O — CID 91805474

IUPAC1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C19H13F3O/c20-19(21,22)16-11-9-14(10-12-16)15-5-4-8-18(13-15)23-17-6-2-1-3-7-17/h1-13H
InChIKeyZPXSDCMPHQOBIY-UHFFFAOYSA-N
MW314.31 g/mol
LogP6.16
Rot. Bonds3

About 1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene

1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 91805474) has the molecular formula C19H13F3O and a molecular weight of 314.31 g/mol. Its IUPAC name is 1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene
PubChem CID91805474
Molecular FormulaC19H13F3O
Molecular Weight314.31 g/mol
Exact Mass314.09
IUPAC Name1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C19H13F3O/c20-19(21,22)16-11-9-14(10-12-16)15-5-4-8-18(13-15)23-17-6-2-1-3-7-17/h1-13H
InChIKeyZPXSDCMPHQOBIY-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.31
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
[3-[4-(trifluoromethyl)phenyl]phenyl] hydrogen sulfate
CID 69045913
1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene
CID 160906545
1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene
CID 134391841
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652
2-phenoxy-6-[4-(trifluoromethyl)phenyl]pyridine
CID 102190448
2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050379
4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde
CID 139680214
3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline
CID 18381163

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene (CID 91805474) is 1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccc(-c2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is ZPXSDCMPHQOBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3O/c20-19(21,22)16-11-9-14(10-12-16)15-5-4-8-18(13-15)23-17-6-2-1-3-7-17/h1-13H.
What are the key properties of 1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene?
1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 314.31 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 91805474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).