1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene

C14H8F6O2 — CID 18785200

IUPAC1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H8F6O2/c15-13(16,17)21-11-7-3-1-5-9(11)10-6-2-4-8-12(10)22-14(18,19)20/h1-8H
InChIKeyJQKQZNOFDUAGLI-UHFFFAOYSA-N
MW322.20 g/mol
LogP5.15
Rot. Bonds3

About 1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene

1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene (PubChem CID 18785200) has the molecular formula C14H8F6O2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
PubChem CID18785200
Molecular FormulaC14H8F6O2
Molecular Weight322.20 g/mol
Exact Mass322.04
IUPAC Name1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H8F6O2/c15-13(16,17)21-11-7-3-1-5-9(11)10-6-2-4-8-12(10)22-14(18,19)20/h1-8H
InChIKeyJQKQZNOFDUAGLI-UHFFFAOYSA-N
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.20
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
CID 22617307
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
CID 171115606
2,3-difluoro-4-[2-(trifluoromethoxy)phenyl]phenol
CID 119015626
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol
CID 134620434
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
CID 123878641
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene (CID 18785200) is 1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene is FC(F)(F)Oc1ccccc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene?
The InChIKey is JQKQZNOFDUAGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O2/c15-13(16,17)21-11-7-3-1-5-9(11)10-6-2-4-8-12(10)22-14(18,19)20/h1-8H.
What are the key properties of 1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene?
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene has a molecular weight of 322.20 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 18785200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).