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

C6H10F3N3O2 — CID 76924895

IUPAC3-amino-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)C(N)=NO
InChIInChI=1S/C6H10F3N3O2/c1-3(4(10)12-14)5(13)11-2-6(7,8)9/h3,14H,2H2,1H3,(H2,10,12)(H,11,13)
InChIKeyOXXSADSUNVTYAE-UHFFFAOYSA-N
MW213.16 g/mol
LogP0.05
Rot. Bonds3

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

3-amino-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 76924895) has the molecular formula C6H10F3N3O2 and a molecular weight of 213.16 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID76924895
Molecular FormulaC6H10F3N3O2
Molecular Weight213.16 g/mol
Exact Mass213.07
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)C(N)=NO
InChIInChI=1S/C6H10F3N3O2/c1-3(4(10)12-14)5(13)11-2-6(7,8)9/h3,14H,2H2,1H3,(H2,10,12)(H,11,13)
InChIKeyOXXSADSUNVTYAE-UHFFFAOYSA-N
XLogP0.05
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 50.05
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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Related Compounds

N-butyl-2-(N'-hydroxycarbamimidoyl)acetamide
CID 2453601
(3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide
CID 43156161
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide
CID 54987980
(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55207095
(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 55261278
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60890842
(3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61852349
2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3,3,3-trifluoropropyl)pentanamide
CID 63227867
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 63227868
2-[(Z)-N'-hydroxycarbamimidoyl]-N,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 65530835
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4,4,4-trifluoro-N-methylbutanamide
CID 65713008
3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 76175085

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 76924895) is 3-amino-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OXXSADSUNVTYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O2/c1-3(4(10)12-14)5(13)11-2-6(7,8)9/h3,14H,2H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 213.16 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 76924895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).