2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine

C10H14F3N3 — CID 62113032

IUPAC2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1n[nH]c2c1CCCC2
InChIInChI=1S/C10H14F3N3/c11-10(12,13)6-14-5-9-7-3-1-2-4-8(7)15-16-9/h14H,1-6H2,(H,15,16)
InChIKeyKKPDHPBCQYGYMS-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.94
Rot. Bonds3

About 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine

2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine (PubChem CID 62113032) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine
PubChem CID62113032
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1n[nH]c2c1CCCC2
InChIInChI=1S/C10H14F3N3/c11-10(12,13)6-14-5-9-7-3-1-2-4-8(7)15-16-9/h14H,1-6H2,(H,15,16)
InChIKeyKKPDHPBCQYGYMS-UHFFFAOYSA-N
XLogP1.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine (CID 62113032) is 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine is FC(F)(F)CNCc1n[nH]c2c1CCCC2.
What is the InChIKey of 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine?
The InChIKey is KKPDHPBCQYGYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)6-14-5-9-7-3-1-2-4-8(7)15-16-9/h14H,1-6H2,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine has a molecular weight of 233.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 62113032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).