2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide

C9H12F3NO — CID 58683581

IUPAC2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide
SMILESC=CCN(CC(=C)C)C(=O)C(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-4-5-13(6-7(2)3)8(14)9(10,11)12/h4H,1-2,5-6H2,3H3
InChIKeyDJDJGBFDZODPDO-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.14
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide

2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide (PubChem CID 58683581) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide
PubChem CID58683581
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide
SMILESC=CCN(CC(=C)C)C(=O)C(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-4-5-13(6-7(2)3)8(14)9(10,11)12/h4H,1-2,5-6H2,3H3
InChIKeyDJDJGBFDZODPDO-UHFFFAOYSA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 15814421
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
CID 736559
3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide
CID 176847603
3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
CID 108910247
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide
CID 115431597
2,2,2-trifluoro-N-(3-methylbut-2-enyl)-N-(2-oxoethyl)acetamide
CID 86081345
N-prop-2-enyl-N-(trifluoromethyl)acetamide;silane
CID 174452092
N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide
CID 150846310
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide
CID 3525541
7-[bis(prop-2-enyl)amino]-2,2,3,3,4,4,5,5,6,6-decafluoro-7-oxoheptanoic acid
CID 21156345
(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid
CID 21432845

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide (CID 58683581) is 2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide is C=CCN(CC(=C)C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide?
The InChIKey is DJDJGBFDZODPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-4-5-13(6-7(2)3)8(14)9(10,11)12/h4H,1-2,5-6H2,3H3.
What are the key properties of 2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide?
2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide has a molecular weight of 207.19 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 58683581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).