3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide

C9H11F6NO — CID 103310128

IUPAC3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide
SMILESC/C=C/CCNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6NO/c1-2-3-4-5-16-7(17)6(8(10,11)12)9(13,14)15/h2-3,6H,4-5H2,1H3,(H,16,17)/b3-2+
InChIKeyVMJXKBWIDMXOPK-NSCUHMNNSA-N
MW263.18 g/mol
LogP2.81
Rot. Bonds4

About 3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide (PubChem CID 103310128) has the molecular formula C9H11F6NO and a molecular weight of 263.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide
PubChem CID103310128
Molecular FormulaC9H11F6NO
Molecular Weight263.18 g/mol
Exact Mass263.07
IUPAC Name3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide
SMILESC/C=C/CCNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6NO/c1-2-3-4-5-16-7(17)6(8(10,11)12)9(13,14)15/h2-3,6H,4-5H2,1H3,(H,16,17)/b3-2+
InChIKeyVMJXKBWIDMXOPK-NSCUHMNNSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide
CID 10535774
N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide
CID 126786058
2,2,2-trifluoro-N-[(2R,3E,5E)-2-methylocta-3,5-dien-7-ynyl]acetamide
CID 10900465
2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide
CID 22418689
2,2,2-trifluoro-N-(4-methylpent-2-enyl)acetamide
CID 54345745
2,3,4,6-tetrafluoro-4-methyl-N-(3-methylbutan-2-yl)cyclohexa-2,5-diene-1-carboxamide
CID 68952769
N-[(E)-4-fluoro-2-prop-2-enylpent-3-enyl]acetamide
CID 89073491
2-ethyl-N-(2,2,2-trifluoroethyl)but-3-enamide
CID 91227509
2,2,2-trifluoro-N-[(E)-pent-2-enyl]acetamide
CID 118520382
N-(2,2-dimethylbut-3-enyl)-3,3,3-trifluoropropanamide
CID 123242738
2,2,2-trifluoro-N-pent-2-enylacetamide
CID 123600952
2-methyl-N-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-3,5-dien-2-yl]propanamide
CID 126663489

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide (CID 103310128) is 3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide is C/C=C/CCNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide?
The InChIKey is VMJXKBWIDMXOPK-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H11F6NO/c1-2-3-4-5-16-7(17)6(8(10,11)12)9(13,14)15/h2-3,6H,4-5H2,1H3,(H,16,17)/b3-2+.
What are the key properties of 3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide 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 3,3,3-trifluoro-N-[(E)-pent-3-enyl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).