N-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide

C10H17F3N2O — CID 78958305

IUPACN-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESC=CCN(C(=O)CNCC(F)(F)F)C(C)C
InChIInChI=1S/C10H17F3N2O/c1-4-5-15(8(2)3)9(16)6-14-7-10(11,12)13/h4,8,14H,1,5-7H2,2-3H3
InChIKeyZAPGMQAYRFHBTO-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.56
Rot. Bonds6

About N-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide

N-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958305) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958305
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESC=CCN(C(=O)CNCC(F)(F)F)C(C)C
InChIInChI=1S/C10H17F3N2O/c1-4-5-15(8(2)3)9(16)6-14-7-10(11,12)13/h4,8,14H,1,5-7H2,2-3H3
InChIKeyZAPGMQAYRFHBTO-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958305) is N-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide is C=CCN(C(=O)CNCC(F)(F)F)C(C)C.
What is the InChIKey of N-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is ZAPGMQAYRFHBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-4-5-15(8(2)3)9(16)6-14-7-10(11,12)13/h4,8,14H,1,5-7H2,2-3H3.
What are the key properties of N-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 238.25 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).