[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid

C5H7F3N2O3 — CID 87223455

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid
SMILESO=C(O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C5H7F3N2O3/c6-5(7,8)2-10-3(11)1-9-4(12)13/h9H,1-2H2,(H,10,11)(H,12,13)
InChIKeyMHNDXPPGWMKPES-UHFFFAOYSA-N
MW200.12 g/mol
LogP-0.07
Rot. Bonds3

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid (PubChem CID 87223455) has the molecular formula C5H7F3N2O3 and a molecular weight of 200.12 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid
PubChem CID87223455
Molecular FormulaC5H7F3N2O3
Molecular Weight200.12 g/mol
Exact Mass200.04
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid
SMILESO=C(O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C5H7F3N2O3/c6-5(7,8)2-10-3(11)1-9-4(12)13/h9H,1-2H2,(H,10,11)(H,12,13)
InChIKeyMHNDXPPGWMKPES-UHFFFAOYSA-N
XLogP-0.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid (CID 87223455) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid is O=C(O)NCC(=O)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid?
The InChIKey is MHNDXPPGWMKPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O3/c6-5(7,8)2-10-3(11)1-9-4(12)13/h9H,1-2H2,(H,10,11)(H,12,13).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid has a molecular weight of 200.12 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid is sourced from PubChem (CID 87223455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).