2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C14H13F3N2 — CID 11054593

IUPAC2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESFC(F)(F)c1c2c(nn1-c1ccccc1)CCCC2
InChIInChI=1S/C14H13F3N2/c15-14(16,17)13-11-8-4-5-9-12(11)18-19(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyJRQXCHCBHJESSZ-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.77
Rot. Bonds1

About 2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 11054593) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID11054593
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESFC(F)(F)c1c2c(nn1-c1ccccc1)CCCC2
InChIInChI=1S/C14H13F3N2/c15-14(16,17)13-11-8-4-5-9-12(11)18-19(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyJRQXCHCBHJESSZ-UHFFFAOYSA-N
XLogP3.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 11054593) is 2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is FC(F)(F)c1c2c(nn1-c1ccccc1)CCCC2.
What is the InChIKey of 2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is JRQXCHCBHJESSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c15-14(16,17)13-11-8-4-5-9-12(11)18-19(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of 2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 266.27 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 11054593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).