5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol

C14H8F6O3 — CID 171115606

IUPAC5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
SMILESOc1cc(OC(F)(F)F)ccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H8F6O3/c15-13(16,17)22-8-5-6-9(11(21)7-8)10-3-1-2-4-12(10)23-14(18,19)20/h1-7,21H
InChIKeyBHGOPGGGXMQMTG-UHFFFAOYSA-N
MW338.20 g/mol
LogP4.86
Rot. Bonds3

About 5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol

5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol (PubChem CID 171115606) has the molecular formula C14H8F6O3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol.

Molecular Properties

Compound Name5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
PubChem CID171115606
Molecular FormulaC14H8F6O3
Molecular Weight338.20 g/mol
Exact Mass338.04
IUPAC Name5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
SMILESOc1cc(OC(F)(F)F)ccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H8F6O3/c15-13(16,17)22-8-5-6-9(11(21)7-8)10-3-1-2-4-12(10)23-14(18,19)20/h1-7,21H
InChIKeyBHGOPGGGXMQMTG-UHFFFAOYSA-N
XLogP4.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2,3-difluoro-4-[2-(trifluoromethoxy)phenyl]phenol
CID 119015626
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134626617
4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol
CID 139790493
2-[4-(trifluoromethoxy)phenoxy]phenol
CID 19755907
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene
CID 172676595
methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635550
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol
CID 134620434
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol?
The IUPAC name of 5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol (CID 171115606) is 5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol.
What is the SMILES notation for 5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol?
The canonical SMILES for 5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol is Oc1cc(OC(F)(F)F)ccc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol?
The InChIKey is BHGOPGGGXMQMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O3/c15-13(16,17)22-8-5-6-9(11(21)7-8)10-3-1-2-4-12(10)23-14(18,19)20/h1-7,21H.
What are the key properties of 5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol?
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol has a molecular weight of 338.20 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol is sourced from PubChem (CID 171115606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).