N-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide

C5H6F4N2O2 — CID 87929309

IUPACN-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide
SMILESNC(=O)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C5H6F4N2O2/c6-3(7)5(8,9)4(13)11-1-2(10)12/h3H,1H2,(H2,10,12)(H,11,13)
InChIKeyGEZZEZYNFJBISQ-UHFFFAOYSA-N
MW202.11 g/mol
LogP-0.51
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide

N-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 87929309) has the molecular formula C5H6F4N2O2 and a molecular weight of 202.11 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID87929309
Molecular FormulaC5H6F4N2O2
Molecular Weight202.11 g/mol
Exact Mass202.04
IUPAC NameN-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide
SMILESNC(=O)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C5H6F4N2O2/c6-3(7)5(8,9)4(13)11-1-2(10)12/h3H,1H2,(H2,10,12)(H,11,13)
InChIKeyGEZZEZYNFJBISQ-UHFFFAOYSA-N
XLogP-0.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.11
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide (CID 87929309) is N-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide is NC(=O)CNC(=O)C(F)(F)C(F)F.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is GEZZEZYNFJBISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4N2O2/c6-3(7)5(8,9)4(13)11-1-2(10)12/h3H,1H2,(H2,10,12)(H,11,13).
What are the key properties of N-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide?
N-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 202.11 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 87929309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).