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

C15H8F8O2 — CID 134622401

IUPAC2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
SMILESFC(F)Oc1cc(-c2cccc(OC(F)(F)F)c2)ccc1C(F)(F)F
InChIInChI=1S/C15H8F8O2/c16-13(17)24-12-7-9(4-5-11(12)14(18,19)20)8-2-1-3-10(6-8)25-15(21,22)23/h1-7,13H
InChIKeyFDIJRQDMTZKUOA-UHFFFAOYSA-N
MW372.21 g/mol
LogP5.87
Rot. Bonds4

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

2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene (PubChem CID 134622401) has the molecular formula C15H8F8O2 and a molecular weight of 372.21 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
PubChem CID134622401
Molecular FormulaC15H8F8O2
Molecular Weight372.21 g/mol
Exact Mass372.04
IUPAC Name2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
SMILESFC(F)Oc1cc(-c2cccc(OC(F)(F)F)c2)ccc1C(F)(F)F
InChIInChI=1S/C15H8F8O2/c16-13(17)24-12-7-9(4-5-11(12)14(18,19)20)8-2-1-3-10(6-8)25-15(21,22)23/h1-7,13H
InChIKeyFDIJRQDMTZKUOA-UHFFFAOYSA-N
XLogP5.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.21
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine
CID 163408376
2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118842889
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118828304
6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118854616
2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171384957
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118821679
1-(chloromethyl)-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118811245
2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene
CID 46311605
2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine
CID 118814623

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene?
The IUPAC name of 2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene (CID 134622401) is 2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene is FC(F)Oc1cc(-c2cccc(OC(F)(F)F)c2)ccc1C(F)(F)F.
What is the InChIKey of 2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene?
The InChIKey is FDIJRQDMTZKUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F8O2/c16-13(17)24-12-7-9(4-5-11(12)14(18,19)20)8-2-1-3-10(6-8)25-15(21,22)23/h1-7,13H.
What are the key properties of 2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene?
2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene has a molecular weight of 372.21 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene is sourced from PubChem (CID 134622401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).