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

C10H11F8NO — CID 23266375

IUPAC(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-3-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/h5H,3-4H2,1-2H3/b7-6+
InChIKeyITDMBIOZFUYKCW-VOTSOKGWSA-N
MW313.19 g/mol
LogP3.75
Rot. Bonds4

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

(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-3-enamide (PubChem CID 23266375) 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-3-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-3-enamide
PubChem CID23266375
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-3-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/h5H,3-4H2,1-2H3/b7-6+
InChIKeyITDMBIOZFUYKCW-VOTSOKGWSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide
CID 23266376
(Z)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide
CID 23266377
N,N-diethyl-3,4,4-trifluorobut-3-enamide
CID 20093640
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone
CID 131186243
2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide
CID 145333571
2,2,3,3-tetrafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106316922
2,2,3,3,3-pentafluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106316946
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoroethanone
CID 130693652

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-3-enamide?
The IUPAC name of (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-3-enamide (CID 23266375) is (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-3-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-3-enamide?
The canonical SMILES for (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-3-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-3-enamide?
The InChIKey is ITDMBIOZFUYKCW-VOTSOKGWSA-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/h5H,3-4H2,1-2H3/b7-6+.
What are the key properties of (E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-3-enamide?
(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-3-enamide has a molecular weight of 313.19 g/mol, XLogP of 3.75, 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-3-enamide is sourced from PubChem (CID 23266375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).