3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide

C7H12F4N2O2 — CID 106291651

IUPAC3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESCOC(CN)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H12F4N2O2/c1-15-4(2-12)5(14)13-3-7(10,11)6(8)9/h4,6H,2-3,12H2,1H3,(H,13,14)
InChIKeyHHHSTTIMQJHLMU-UHFFFAOYSA-N
MW232.18 g/mol
LogP-0.02
Rot. Bonds6

About 3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide

3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide (PubChem CID 106291651) has the molecular formula C7H12F4N2O2 and a molecular weight of 232.18 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide
PubChem CID106291651
Molecular FormulaC7H12F4N2O2
Molecular Weight232.18 g/mol
Exact Mass232.08
IUPAC Name3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESCOC(CN)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H12F4N2O2/c1-15-4(2-12)5(14)13-3-7(10,11)6(8)9/h4,6H,2-3,12H2,1H3,(H,13,14)
InChIKeyHHHSTTIMQJHLMU-UHFFFAOYSA-N
XLogP-0.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide
CID 106113782
methyl N-(2,2,3,3-tetrafluoropropyl)carbamate
CID 103528765
4-[(3-amino-2-methoxypropanoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 106113077
3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 106112788
3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213280
2-methyl-3-oxo-3-(2,2,3,3-tetrafluoropropylamino)propanoic acid
CID 106295621
(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291529
(2R)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291723
3-amino-N-tert-butyl-2-methoxypropanamide
CID 106110957
3-amino-2-methoxy-N-(2-methylbutyl)propanamide
CID 106112770
ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate
CID 106295297
2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291040

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide (CID 106291651) is 3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide is COC(CN)C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The InChIKey is HHHSTTIMQJHLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4N2O2/c1-15-4(2-12)5(14)13-3-7(10,11)6(8)9/h4,6H,2-3,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide?
3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide has a molecular weight of 232.18 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide is sourced from PubChem (CID 106291651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).