2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N2O — CID 119748912

IUPAC2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCN(CC(F)(F)F)C(=O)CNCC1CC1
InChIInChI=1S/C11H17F3N2O/c1-2-5-16(8-11(12,13)14)10(17)7-15-6-9-3-4-9/h2,9,15H,1,3-8H2
InChIKeyNLPOFNXHZOPBHG-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.56
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide

2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 119748912) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID119748912
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESC=CCN(CC(F)(F)F)C(=O)CNCC1CC1
InChIInChI=1S/C11H17F3N2O/c1-2-5-16(8-11(12,13)14)10(17)7-15-6-9-3-4-9/h2,9,15H,1,3-8H2
InChIKeyNLPOFNXHZOPBHG-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide (CID 119748912) is 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide is C=CCN(CC(F)(F)F)C(=O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NLPOFNXHZOPBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-2-5-16(8-11(12,13)14)10(17)7-15-6-9-3-4-9/h2,9,15H,1,3-8H2.
What are the key properties of 2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 250.26 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-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 119748912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).