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

C14H8F6O2 — CID 90959680

IUPAC1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccc(-c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C14H8F6O2/c15-13(16,17)21-10-7-5-9(6-8-10)11-3-1-2-4-12(11)22-14(18,19)20/h1-8H
InChIKeyONESQEHIKOHSFB-UHFFFAOYSA-N
MW322.20 g/mol
LogP5.15
Rot. Bonds3

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

1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 90959680) has the molecular formula C14H8F6O2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID90959680
Molecular FormulaC14H8F6O2
Molecular Weight322.20 g/mol
Exact Mass322.04
IUPAC Name1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccc(-c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C14H8F6O2/c15-13(16,17)21-10-7-5-9(6-8-10)11-3-1-2-4-12(11)22-14(18,19)20/h1-8H
InChIKeyONESQEHIKOHSFB-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

1-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118812996
1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
CID 123878641
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
CID 171115606
2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119020781
1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118833201
1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668
2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134617258
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene (CID 90959680) is 1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene is FC(F)(F)Oc1ccc(-c2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of 1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is ONESQEHIKOHSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O2/c15-13(16,17)21-10-7-5-9(6-8-10)11-3-1-2-4-12(11)22-14(18,19)20/h1-8H.
What are the key properties of 1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene?
1-(trifluoromethoxy)-2-[4-(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-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 90959680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).