N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide

C9H11F6NO — CID 71671966

IUPACN-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide
SMILESC=CCNC(=O)C(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6NO/c1-3-5-16-6(17)7(4-2,8(10,11)12)9(13,14)15/h3H,1,4-5H2,2H3,(H,16,17)
InChIKeyFYVFDVLTZNDFBT-UHFFFAOYSA-N
MW263.18 g/mol
LogP2.81
Rot. Bonds4

About N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide

N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide (PubChem CID 71671966) has the molecular formula C9H11F6NO and a molecular weight of 263.18 g/mol. Its IUPAC name is N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide
PubChem CID71671966
Molecular FormulaC9H11F6NO
Molecular Weight263.18 g/mol
Exact Mass263.07
IUPAC NameN-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide
SMILESC=CCNC(=O)C(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6NO/c1-3-5-16-6(17)7(4-2,8(10,11)12)9(13,14)15/h3H,1,4-5H2,2H3,(H,16,17)
InChIKeyFYVFDVLTZNDFBT-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 52.81
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

N-propyl-2,2-bis(trifluoromethyl)butanamide
CID 71671965
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide
CID 4623111
[1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite
CID 166497913
N-decyl-2,2-bis(trifluoromethyl)butanamide
CID 5023706
2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 102442932
2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850
2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide
CID 71671954
ethyl 2,2,2-trifluoroacetate;methane;prop-2-en-1-amine;2,2,2-trifluoro-N-prop-2-enylacetamide
CID 157477078
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide
CID 156569078
1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea
CID 115575971

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide?
The IUPAC name of N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide (CID 71671966) is N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide.
What is the SMILES notation for N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide?
The canonical SMILES for N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide is C=CCNC(=O)C(CC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide?
The InChIKey is FYVFDVLTZNDFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6NO/c1-3-5-16-6(17)7(4-2,8(10,11)12)9(13,14)15/h3H,1,4-5H2,2H3,(H,16,17).
What are the key properties of N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide?
N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide has a molecular weight of 263.18 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide is sourced from PubChem (CID 71671966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).