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

C14H8F6O — CID 91059190

IUPAC1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)Oc1ccccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8F6O/c15-13(16,17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)21-14(18,19)20/h1-8H
InChIKeyAVBFVKGMFABLCQ-UHFFFAOYSA-N
MW306.21 g/mol
LogP5.27
Rot. Bonds2

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

1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 91059190) has the molecular formula C14H8F6O and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
PubChem CID91059190
Molecular FormulaC14H8F6O
Molecular Weight306.21 g/mol
Exact Mass306.05
IUPAC Name1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)Oc1ccccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8F6O/c15-13(16,17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)21-14(18,19)20/h1-8H
InChIKeyAVBFVKGMFABLCQ-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.21
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol
CID 134620434
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene
CID 134631115
4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134629903
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666
2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid
CID 118990950
6-[2-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 134617611
3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133091691
2-iodo-1-(trifluoromethoxy)-4-[2-(trifluoromethyl)phenyl]benzene
CID 172676650
4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901
2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline
CID 134624128

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene (CID 91059190) is 1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene is FC(F)(F)Oc1ccccc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is AVBFVKGMFABLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O/c15-13(16,17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)21-14(18,19)20/h1-8H.
What are the key properties of 1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene?
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 306.21 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 91059190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).