2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol

C13H7F5O — CID 134627781

IUPAC2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol
SMILESOc1cc(-c2cccc(C(F)(F)F)c2)cc(F)c1F
InChIInChI=1S/C13H7F5O/c14-10-5-8(6-11(19)12(10)15)7-2-1-3-9(4-7)13(16,17)18/h1-6,19H
InChIKeyWEPPGFIQWNIXQZ-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.36
Rot. Bonds1

About 2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol

2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol (PubChem CID 134627781) has the molecular formula C13H7F5O and a molecular weight of 274.19 g/mol. Its IUPAC name is 2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol
PubChem CID134627781
Molecular FormulaC13H7F5O
Molecular Weight274.19 g/mol
Exact Mass274.04
IUPAC Name2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol
SMILESOc1cc(-c2cccc(C(F)(F)F)c2)cc(F)c1F
InChIInChI=1S/C13H7F5O/c14-10-5-8(6-11(19)12(10)15)7-2-1-3-9(4-7)13(16,17)18/h1-6,19H
InChIKeyWEPPGFIQWNIXQZ-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
1-fluoro-3-[3-(trifluoromethyl)phenyl]naphthalene
CID 118819191
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134626810
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400
1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide
CID 172648845
methyl 2-fluoro-5-[3-(trifluoromethyl)phenyl]benzoate
CID 75488127
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149
6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091792

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol (CID 134627781) is 2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol is Oc1cc(-c2cccc(C(F)(F)F)c2)cc(F)c1F.
What is the InChIKey of 2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol?
The InChIKey is WEPPGFIQWNIXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5O/c14-10-5-8(6-11(19)12(10)15)7-2-1-3-9(4-7)13(16,17)18/h1-6,19H.
What are the key properties of 2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol?
2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol has a molecular weight of 274.19 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 134627781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).