2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate

C5H9F3N2O2 — CID 65173321

IUPAC2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate
SMILESNCCNC(=O)OCC(F)(F)F
InChIInChI=1S/C5H9F3N2O2/c6-5(7,8)3-12-4(11)10-2-1-9/h1-3,9H2,(H,10,11)
InChIKeyHGIUNFMKPUJUJE-UHFFFAOYSA-N
MW186.13 g/mol
LogP0.23
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate

2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate (PubChem CID 65173321) has the molecular formula C5H9F3N2O2 and a molecular weight of 186.13 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate
PubChem CID65173321
Molecular FormulaC5H9F3N2O2
Molecular Weight186.13 g/mol
Exact Mass186.06
IUPAC Name2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate
SMILESNCCNC(=O)OCC(F)(F)F
InChIInChI=1S/C5H9F3N2O2/c6-5(7,8)3-12-4(11)10-2-1-9/h1-3,9H2,(H,10,11)
InChIKeyHGIUNFMKPUJUJE-UHFFFAOYSA-N
XLogP0.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 50.23
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-(2-aminoethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate (CID 65173321) is 2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate is NCCNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate?
The InChIKey is HGIUNFMKPUJUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2/c6-5(7,8)3-12-4(11)10-2-1-9/h1-3,9H2,(H,10,11).
What are the key properties of 2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate?
2,2,2-trifluoroethyl N-(2-aminoethyl)carbamate has a molecular weight of 186.13 g/mol, XLogP of 0.23, 3 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-(2-aminoethyl)carbamate is sourced from PubChem (CID 65173321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).