2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide

C10H15F3N2O — CID 103711244

IUPAC2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESC#CCCCNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-3-4-5-6-14-8(2)9(16)15-7-10(11,12)13/h1,8,14H,4-7H2,2H3,(H,15,16)
InChIKeyJIRQJUSJDVQXDG-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.06
Rot. Bonds6

About 2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103711244) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103711244
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESC#CCCCNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-3-4-5-6-14-8(2)9(16)15-7-10(11,12)13/h1,8,14H,4-7H2,2H3,(H,15,16)
InChIKeyJIRQJUSJDVQXDG-UHFFFAOYSA-N
XLogP1.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106309732
2-(methylamino)-N-pent-4-ynylpropanamide
CID 106221794
2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113494695
ethyl 2-(pent-4-ynylamino)propanoate
CID 115664090
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-[(1-methylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103724720
N-cyclohexyl-2-(pent-4-ynylamino)propanamide
CID 103711279
2-(pent-4-ynylamino)-N-phenylpropanamide
CID 103711267
3-amino-2-methyl-N-pent-4-ynylpropanamide
CID 106221793
2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571284
2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571278
2-[2-(cyclopropylmethoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113233536

Frequently Asked Questions

What is the IUPAC name of 2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 103711244) is 2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide is C#CCCCNC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JIRQJUSJDVQXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-3-4-5-6-14-8(2)9(16)15-7-10(11,12)13/h1,8,14H,4-7H2,2H3,(H,15,16).
What are the key properties of 2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 236.24 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103711244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).