4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol

C13H7F5O — CID 118823457

IUPAC4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol
SMILESOc1cc(F)c(F)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H7F5O/c14-10-5-8(12(19)6-11(10)15)7-3-1-2-4-9(7)13(16,17)18/h1-6,19H
InChIKeyMXRZWTKVMATFFJ-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.36
Rot. Bonds1

About 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol

4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol (PubChem CID 118823457) has the molecular formula C13H7F5O and a molecular weight of 274.19 g/mol. Its IUPAC name is 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol
PubChem CID118823457
Molecular FormulaC13H7F5O
Molecular Weight274.19 g/mol
Exact Mass274.04
IUPAC Name4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol
SMILESOc1cc(F)c(F)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H7F5O/c14-10-5-8(12(19)6-11(10)15)7-3-1-2-4-9(7)13(16,17)18/h1-6,19H
InChIKeyMXRZWTKVMATFFJ-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

1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene
CID 158879468
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
4,5-difluoro-2-(2-fluorophenyl)phenol
CID 46312140
1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene
CID 134617391
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
CID 118806468
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
methyl 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]benzoate
CID 118846081
2-(trifluoromethyl)phenol
CID 162212145
4-fluoro-3-[2-(trifluoromethyl)phenyl]aniline
CID 112694389
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
CID 134626767
1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
CID 118846513

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol (CID 118823457) is 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol is Oc1cc(F)c(F)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol?
The InChIKey is MXRZWTKVMATFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5O/c14-10-5-8(12(19)6-11(10)15)7-3-1-2-4-9(7)13(16,17)18/h1-6,19H.
What are the key properties of 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol?
4,5-difluoro-2-[2-(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 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 118823457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).