2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol

C13H7F5O3 — CID 71067398

IUPAC2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol
SMILESOc1cc(O)c(-c2cc(F)c(C(F)(F)F)c(F)c2)c(O)c1
InChIInChI=1S/C13H7F5O3/c14-7-1-5(2-8(15)12(7)13(16,17)18)11-9(20)3-6(19)4-10(11)21/h1-4,19-21H
InChIKeyBSEWMGAQOPHFOF-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.77
Rot. Bonds1

About 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol

2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol (PubChem CID 71067398) has the molecular formula C13H7F5O3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol
PubChem CID71067398
Molecular FormulaC13H7F5O3
Molecular Weight306.19 g/mol
Exact Mass306.03
IUPAC Name2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol
SMILESOc1cc(O)c(-c2cc(F)c(C(F)(F)F)c(F)c2)c(O)c1
InChIInChI=1S/C13H7F5O3/c14-7-1-5(2-8(15)12(7)13(16,17)18)11-9(20)3-6(19)4-10(11)21/h1-4,19-21H
InChIKeyBSEWMGAQOPHFOF-UHFFFAOYSA-N
XLogP3.77
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol?
The IUPAC name of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol (CID 71067398) is 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol.
What is the SMILES notation for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol?
The canonical SMILES for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol is Oc1cc(O)c(-c2cc(F)c(C(F)(F)F)c(F)c2)c(O)c1.
What is the InChIKey of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol?
The InChIKey is BSEWMGAQOPHFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5O3/c14-7-1-5(2-8(15)12(7)13(16,17)18)11-9(20)3-6(19)4-10(11)21/h1-4,19-21H.
What are the key properties of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol?
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol has a molecular weight of 306.19 g/mol, XLogP of 3.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]benzene-1,3,5-triol is sourced from PubChem (CID 71067398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).