2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate

C10H8F3N3O2 — CID 65173715

IUPAC2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate
SMILESO=C(Nc1ccc2[nH]ncc2c1)OCC(F)(F)F
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)5-18-9(17)15-7-1-2-8-6(3-7)4-14-16-8/h1-4H,5H2,(H,14,16)(H,15,17)
InChIKeyOYSHAZSBZDNHQM-UHFFFAOYSA-N
MW259.19 g/mol
LogP2.67
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate

2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate (PubChem CID 65173715) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate
PubChem CID65173715
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate
SMILESO=C(Nc1ccc2[nH]ncc2c1)OCC(F)(F)F
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)5-18-9(17)15-7-1-2-8-6(3-7)4-14-16-8/h1-4H,5H2,(H,14,16)(H,15,17)
InChIKeyOYSHAZSBZDNHQM-UHFFFAOYSA-N
XLogP2.67
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate (CID 65173715) is 2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate is O=C(Nc1ccc2[nH]ncc2c1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate?
The InChIKey is OYSHAZSBZDNHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-10(12,13)5-18-9(17)15-7-1-2-8-6(3-7)4-14-16-8/h1-4H,5H2,(H,14,16)(H,15,17).
What are the key properties of 2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate?
2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate has a molecular weight of 259.19 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(1H-indazol-5-yl)carbamate is sourced from PubChem (CID 65173715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).