(3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide

C5H8F3N3O2 — CID 43156161

IUPAC(3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide
SMILESN/C(CC(=O)NCC(F)(F)F)=N\O
InChIInChI=1S/C5H8F3N3O2/c6-5(7,8)2-10-4(12)1-3(9)11-13/h13H,1-2H2,(H2,9,11)(H,10,12)
InChIKeyKSHPKYUFRWDULQ-UHFFFAOYSA-N
MW199.13 g/mol
LogP-0.20
Rot. Bonds3

About (3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide

(3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 43156161) has the molecular formula C5H8F3N3O2 and a molecular weight of 199.13 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID43156161
Molecular FormulaC5H8F3N3O2
Molecular Weight199.13 g/mol
Exact Mass199.06
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide
SMILESN/C(CC(=O)NCC(F)(F)F)=N\O
InChIInChI=1S/C5H8F3N3O2/c6-5(7,8)2-10-4(12)1-3(9)11-13/h13H,1-2H2,(H2,9,11)(H,10,12)
InChIKeyKSHPKYUFRWDULQ-UHFFFAOYSA-N
XLogP-0.20
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide (CID 43156161) is (3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide is N/C(CC(=O)NCC(F)(F)F)=N\O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KSHPKYUFRWDULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N3O2/c6-5(7,8)2-10-4(12)1-3(9)11-13/h13H,1-2H2,(H2,9,11)(H,10,12).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 199.13 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 43156161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).