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

C10H11F6NO — CID 534738

IUPAC3,3,3-trifluoro-N,N-bis(prop-2-enyl)-2-(trifluoromethyl)propanamide
SMILESC=CCN(CC=C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6NO/c1-3-5-17(6-4-2)8(18)7(9(11,12)13)10(14,15)16/h3-4,7H,1-2,5-6H2
InChIKeyVQEMEOSLZSAEGH-UHFFFAOYSA-N
MW275.19 g/mol
LogP2.93
Rot. Bonds5

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

3,3,3-trifluoro-N,N-bis(prop-2-enyl)-2-(trifluoromethyl)propanamide (PubChem CID 534738) has the molecular formula C10H11F6NO and a molecular weight of 275.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-bis(prop-2-enyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-bis(prop-2-enyl)-2-(trifluoromethyl)propanamide
PubChem CID534738
Molecular FormulaC10H11F6NO
Molecular Weight275.19 g/mol
Exact Mass275.07
IUPAC Name3,3,3-trifluoro-N,N-bis(prop-2-enyl)-2-(trifluoromethyl)propanamide
SMILESC=CCN(CC=C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6NO/c1-3-5-17(6-4-2)8(18)7(9(11,12)13)10(14,15)16/h3-4,7H,1-2,5-6H2
InChIKeyVQEMEOSLZSAEGH-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,3,3-trifluoro-N,N-bis(prop-2-enyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N,N-bis(prop-2-enyl)-2-(trifluoromethyl)propanamide (CID 534738) is 3,3,3-trifluoro-N,N-bis(prop-2-enyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N,N-bis(prop-2-enyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N,N-bis(prop-2-enyl)-2-(trifluoromethyl)propanamide is C=CCN(CC=C)C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,N-bis(prop-2-enyl)-2-(trifluoromethyl)propanamide?
The InChIKey is VQEMEOSLZSAEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6NO/c1-3-5-17(6-4-2)8(18)7(9(11,12)13)10(14,15)16/h3-4,7H,1-2,5-6H2.
What are the key properties of 3,3,3-trifluoro-N,N-bis(prop-2-enyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N,N-bis(prop-2-enyl)-2-(trifluoromethyl)propanamide has a molecular weight of 275.19 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-bis(prop-2-enyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 534738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).