3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide

C8H9F6NO — CID 71672164

IUPAC3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide
SMILESC=CCNC(=O)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F6NO/c1-3-4-15-5(16)6(2,7(9,10)11)8(12,13)14/h3H,1,4H2,2H3,(H,15,16)
InChIKeyFLSDJQVWOAVOMV-UHFFFAOYSA-N
MW249.15 g/mol
LogP2.42
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide (PubChem CID 71672164) has the molecular formula C8H9F6NO and a molecular weight of 249.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide
PubChem CID71672164
Molecular FormulaC8H9F6NO
Molecular Weight249.15 g/mol
Exact Mass249.06
IUPAC Name3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide
SMILESC=CCNC(=O)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F6NO/c1-3-4-15-5(16)6(2,7(9,10)11)8(12,13)14/h3H,1,4H2,2H3,(H,15,16)
InChIKeyFLSDJQVWOAVOMV-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Heptafluorobutyramide, N-allyl
CID 534980
Pivalamide, N-allyl-
CID 4172620
N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
CID 14120807
3,3,3-trifluoro-N-prop-2-enylpropanamide
CID 22975874
2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide
CID 54438362
N-but-2-enyl-2,2,2-trifluoroacetamide
CID 57244086
4,4,4-trifluoro-N-prop-2-enylbutanamide
CID 65710764
2-methyl-N-(1,3,3,3-tetrafluoropropyl)prop-2-enamide
CID 87441714
2,3,3,3-tetrafluoro-N-prop-2-enylpropanamide
CID 89074741
2,2-difluoro-N-(2-methylprop-2-enyl)acetamide
CID 89887506
N-(2,2-dimethylbut-3-enyl)-3,3,3-trifluoropropanamide
CID 123242738
N-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide
CID 123845207

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide (CID 71672164) is 3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide is C=CCNC(=O)C(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide?
The InChIKey is FLSDJQVWOAVOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NO/c1-3-4-15-5(16)6(2,7(9,10)11)8(12,13)14/h3H,1,4H2,2H3,(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide has a molecular weight of 249.15 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-N-prop-2-enyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 71672164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).