ethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide

C9H16F3NO — CID 143198841

IUPACethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(C)C(=O)C(F)(F)F.CC
InChIInChI=1S/C7H10F3NO.C2H6/c1-5(2)4-11(3)6(12)7(8,9)10;1-2/h1,4H2,2-3H3;1-2H3
InChIKeyAIBHYRDFBASVOI-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.61
Rot. Bonds2

About ethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide

ethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 143198841) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID143198841
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Nameethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(C)C(=O)C(F)(F)F.CC
InChIInChI=1S/C7H10F3NO.C2H6/c1-5(2)4-11(3)6(12)7(8,9)10;1-2/h1,4H2,2-3H3;1-2H3
InChIKeyAIBHYRDFBASVOI-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.61
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,N-diethyl-2-(trifluoromethyl)prop-2-enamide
CID 134988475
N,N-di(propan-2-yl)-2-(trifluoromethyl)prop-2-enamide
CID 134988730
N,N-Diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide
CID 12541730
2,2,2-Trifluoro-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone
CID 58450998
2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide
CID 58683581
N-butyl-2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
CID 59464919
2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
CID 89314896
N,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
CID 89314925
N-butyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
CID 89314927
N-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
CID 89314935
N-(5,5-difluoropentyl)-N,2-dimethylprop-2-enamide
CID 89332469
N-(3,3-difluoropropyl)-N-ethyl-2-methylprop-2-enamide
CID 89332559

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of ethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide (CID 143198841) is ethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for ethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for ethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(C)C(=O)C(F)(F)F.CC.
What is the InChIKey of ethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is AIBHYRDFBASVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO.C2H6/c1-5(2)4-11(3)6(12)7(8,9)10;1-2/h1,4H2,2-3H3;1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide?
ethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 211.23 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-N-methyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 143198841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).