3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol

C13H7F5O — CID 53221990

IUPAC3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol
SMILESOc1cc(-c2ccc(F)cc2F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H7F5O/c14-9-1-2-11(12(15)6-9)7-3-8(13(16,17)18)5-10(19)4-7/h1-6,19H
InChIKeyQDCFFPDFKAAGIY-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.36
Rot. Bonds1

About 3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol

3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol (PubChem CID 53221990) has the molecular formula C13H7F5O and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol
PubChem CID53221990
Molecular FormulaC13H7F5O
Molecular Weight274.19 g/mol
Exact Mass274.04
IUPAC Name3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol
SMILESOc1cc(-c2ccc(F)cc2F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H7F5O/c14-9-1-2-11(12(15)6-9)7-3-8(13(16,17)18)5-10(19)4-7/h1-6,19H
InChIKeyQDCFFPDFKAAGIY-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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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol?
The IUPAC name of 3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol (CID 53221990) is 3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol is Oc1cc(-c2ccc(F)cc2F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol?
The InChIKey is QDCFFPDFKAAGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5O/c14-9-1-2-11(12(15)6-9)7-3-8(13(16,17)18)5-10(19)4-7/h1-6,19H.
What are the key properties of 3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol?
3-(2,4-difluorophenyl)-5-(trifluoromethyl)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 3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 53221990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).