4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene

C15H8F8O — CID 119025174

IUPAC4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)Oc1ccc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H8F8O/c16-13(17)24-10-4-5-12(15(21,22)23)11(7-10)8-2-1-3-9(6-8)14(18,19)20/h1-7,13H
InChIKeyZWPVRELLPOLNGV-UHFFFAOYSA-N
MW356.21 g/mol
LogP5.99
Rot. Bonds3

About 4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene

4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 119025174) has the molecular formula C15H8F8O and a molecular weight of 356.21 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
PubChem CID119025174
Molecular FormulaC15H8F8O
Molecular Weight356.21 g/mol
Exact Mass356.04
IUPAC Name4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)Oc1ccc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H8F8O/c16-13(17)24-10-4-5-12(15(21,22)23)11(7-10)8-2-1-3-9(6-8)14(18,19)20/h1-7,13H
InChIKeyZWPVRELLPOLNGV-UHFFFAOYSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.21
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(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-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
4-(chloromethyl)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 134617600
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 134630432
1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119002321
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364
5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169333944
1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene
CID 134628110
1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene
CID 134629997
methyl 2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]benzoate
CID 134622903
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene (CID 119025174) is 4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene is FC(F)Oc1ccc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is ZWPVRELLPOLNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F8O/c16-13(17)24-10-4-5-12(15(21,22)23)11(7-10)8-2-1-3-9(6-8)14(18,19)20/h1-7,13H.
What are the key properties of 4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene has a molecular weight of 356.21 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 119025174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).