5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol

C13H7F5O — CID 107290811

IUPAC5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
SMILESOc1cc(F)ccc1-c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H7F5O/c14-8-2-3-9(12(19)6-8)7-1-4-11(15)10(5-7)13(16,17)18/h1-6,19H
InChIKeyIRMMXCLUMPALKP-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.36
Rot. Bonds1

About 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol

5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol (PubChem CID 107290811) has the molecular formula C13H7F5O and a molecular weight of 274.19 g/mol. Its IUPAC name is 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
PubChem CID107290811
Molecular FormulaC13H7F5O
Molecular Weight274.19 g/mol
Exact Mass274.04
IUPAC Name5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
SMILESOc1cc(F)ccc1-c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H7F5O/c14-8-2-3-9(12(19)6-8)7-1-4-11(15)10(5-7)13(16,17)18/h1-6,19H
InChIKeyIRMMXCLUMPALKP-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 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol (CID 107290811) is 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol is Oc1cc(F)ccc1-c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol?
The InChIKey is IRMMXCLUMPALKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5O/c14-8-2-3-9(12(19)6-8)7-1-4-11(15)10(5-7)13(16,17)18/h1-6,19H.
What are the key properties of 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol?
5-fluoro-2-[4-fluoro-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 5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 107290811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).