2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C10H13F3N2O — CID 121214608

IUPAC2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESOCCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)9-7-3-1-2-4-8(7)15(14-9)5-6-16/h16H,1-6H2
InChIKeyCQEQAENKIIIRJB-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.77
Rot. Bonds2

About 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 121214608) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID121214608
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESOCCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)9-7-3-1-2-4-8(7)15(14-9)5-6-16/h16H,1-6H2
InChIKeyCQEQAENKIIIRJB-UHFFFAOYSA-N
XLogP1.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 121214608) is 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is OCCn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is CQEQAENKIIIRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)9-7-3-1-2-4-8(7)15(14-9)5-6-16/h16H,1-6H2.
What are the key properties of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 234.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 121214608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).