2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N2O — CID 79278113

IUPAC2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCNCC(=O)N(CCC)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-3-5-14-7-9(16)15(6-4-2)8-10(11,12)13/h3,14H,1,4-8H2,2H3
InChIKeyPSUVEARVWVWVNE-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.56
Rot. Bonds7

About 2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79278113) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79278113
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCNCC(=O)N(CCC)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-3-5-14-7-9(16)15(6-4-2)8-10(11,12)13/h3,14H,1,4-8H2,2H3
InChIKeyPSUVEARVWVWVNE-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10634409
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CID 15814421
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CID 43089174
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CID 60416257
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CID 60647098
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CID 60948148
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CID 61492715
CID 61492715

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (CID 79278113) is 2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is C=CCNCC(=O)N(CCC)CC(F)(F)F.
What is the InChIKey of 2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PSUVEARVWVWVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-3-5-14-7-9(16)15(6-4-2)8-10(11,12)13/h3,14H,1,4-8H2,2H3.
What are the key properties of 2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 238.25 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79278113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).