2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol

C11H6F6N2O — CID 174731543

IUPAC2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol
SMILESCc1cc(C(F)(F)F)nn1-c1c(F)cc(F)c(O)c1F
InChIInChI=1S/C11H6F6N2O/c1-4-2-7(11(15,16)17)18-19(4)9-5(12)3-6(13)10(20)8(9)14/h2-3,20H,1H3
InChIKeyFDMKRNULPLDGHA-UHFFFAOYSA-N
MW296.17 g/mol
LogP3.32
Rot. Bonds1

About 2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol

2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol (PubChem CID 174731543) has the molecular formula C11H6F6N2O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol
PubChem CID174731543
Molecular FormulaC11H6F6N2O
Molecular Weight296.17 g/mol
Exact Mass296.04
IUPAC Name2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol
SMILESCc1cc(C(F)(F)F)nn1-c1c(F)cc(F)c(O)c1F
InChIInChI=1S/C11H6F6N2O/c1-4-2-7(11(15,16)17)18-19(4)9-5(12)3-6(13)10(20)8(9)14/h2-3,20H,1H3
InChIKeyFDMKRNULPLDGHA-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol?
The IUPAC name of 2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol (CID 174731543) is 2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol is Cc1cc(C(F)(F)F)nn1-c1c(F)cc(F)c(O)c1F.
What is the InChIKey of 2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol?
The InChIKey is FDMKRNULPLDGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2O/c1-4-2-7(11(15,16)17)18-19(4)9-5(12)3-6(13)10(20)8(9)14/h2-3,20H,1H3.
What are the key properties of 2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol?
2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol has a molecular weight of 296.17 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 174731543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).