(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide

C10H11F8NO — CID 23266376

IUPAC(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide
SMILESCCN(CC)C(=O)/C(=C(\F)C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F8NO/c1-3-19(4-2)8(20)5(9(13,14)15)6(11)7(12)10(16,17)18/h7H,3-4H2,1-2H3/b6-5+
InChIKeyQEOPURBKRBVJHP-AATRIKPKSA-N
MW313.19 g/mol
LogP3.54
Rot. Bonds4

About (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide

(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide (PubChem CID 23266376) has the molecular formula C10H11F8NO and a molecular weight of 313.19 g/mol. Its IUPAC name is (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide
PubChem CID23266376
Molecular FormulaC10H11F8NO
Molecular Weight313.19 g/mol
Exact Mass313.07
IUPAC Name(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide
SMILESCCN(CC)C(=O)/C(=C(\F)C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F8NO/c1-3-19(4-2)8(20)5(9(13,14)15)6(11)7(12)10(16,17)18/h7H,3-4H2,1-2H3/b6-5+
InChIKeyQEOPURBKRBVJHP-AATRIKPKSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[3,4,4,5,5,5-Hexafluoro-2-(trifluoromethyl)-2-pentenoyl]piperidine
CID 2255884
N,N-diethyl-3-fluoro-2-(trifluoromethyl)-2-heptenamide
CID 129809586
N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide
CID 10518823
(E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide
CID 10590860
(Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide
CID 15399687
(Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide
CID 15399695
N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide
CID 15472878
(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-3-enamide
CID 23266375
(Z)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide
CID 23266377
N,N-Diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide
CID 12541730
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone
CID 131186243
4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one
CID 146620664

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide (CID 23266376) is (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide is CCN(CC)C(=O)/C(=C(\F)C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide?
The InChIKey is QEOPURBKRBVJHP-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11F8NO/c1-3-19(4-2)8(20)5(9(13,14)15)6(11)7(12)10(16,17)18/h7H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide?
(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide has a molecular weight of 313.19 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide is sourced from PubChem (CID 23266376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).