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

C15H8F8O2 — CID 118809084

IUPAC1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
SMILESFC(F)Oc1ccc(C(F)(F)F)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H8F8O2/c16-13(17)24-11-6-5-8(14(18,19)20)7-10(11)9-3-1-2-4-12(9)25-15(21,22)23/h1-7,13H
InChIKeyBXTMHCYGXNTMSG-UHFFFAOYSA-N
MW372.21 g/mol
LogP5.87
Rot. Bonds4

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

1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene (PubChem CID 118809084) has the molecular formula C15H8F8O2 and a molecular weight of 372.21 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
PubChem CID118809084
Molecular FormulaC15H8F8O2
Molecular Weight372.21 g/mol
Exact Mass372.04
IUPAC Name1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
SMILESFC(F)Oc1ccc(C(F)(F)F)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H8F8O2/c16-13(17)24-11-6-5-8(14(18,19)20)7-10(11)9-3-1-2-4-12(9)25-15(21,22)23/h1-7,13H
InChIKeyBXTMHCYGXNTMSG-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

2-(difluoromethoxy)-1-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 134617209
[2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118848836
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
[2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 172649054
1-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118812996
2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 133089361
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 118813597
3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 119025158
[2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol
CID 171382948
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
2-methoxy-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134620611

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene (CID 118809084) is 1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene is FC(F)Oc1ccc(C(F)(F)F)cc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene?
The InChIKey is BXTMHCYGXNTMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F8O2/c16-13(17)24-11-6-5-8(14(18,19)20)7-10(11)9-3-1-2-4-12(9)25-15(21,22)23/h1-7,13H.
What are the key properties of 1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene?
1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(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 1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 118809084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).