2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol

C14H8F6O2 — CID 134620434

IUPAC2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol
SMILESOc1c(-c2ccccc2OC(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C14H8F6O2/c15-13(16,17)10-6-3-5-9(12(10)21)8-4-1-2-7-11(8)22-14(18,19)20/h1-7,21H
InChIKeyZCXACBAOIRGSTM-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.98
Rot. Bonds2

About 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol

2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol (PubChem CID 134620434) has the molecular formula C14H8F6O2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol
PubChem CID134620434
Molecular FormulaC14H8F6O2
Molecular Weight322.20 g/mol
Exact Mass322.04
IUPAC Name2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol
SMILESOc1c(-c2ccccc2OC(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C14H8F6O2/c15-13(16,17)10-6-3-5-9(12(10)21)8-4-1-2-7-11(8)22-14(18,19)20/h1-7,21H
InChIKeyZCXACBAOIRGSTM-UHFFFAOYSA-N
XLogP4.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene
CID 134631115
2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid
CID 118990950
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
CID 171115606
2,3-difluoro-4-[2-(trifluoromethoxy)phenyl]phenol
CID 119015626
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666
2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine
CID 118854667
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
CID 22617307
4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134629903
6-[2-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 134617611

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol?
The IUPAC name of 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol (CID 134620434) is 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol is Oc1c(-c2ccccc2OC(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol?
The InChIKey is ZCXACBAOIRGSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O2/c15-13(16,17)10-6-3-5-9(12(10)21)8-4-1-2-7-11(8)22-14(18,19)20/h1-7,21H.
What are the key properties of 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol?
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol has a molecular weight of 322.20 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol is sourced from PubChem (CID 134620434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).