4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide

C11H16F3N3O — CID 143768717

IUPAC4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide
SMILESC=C/C=C(\C=C)NC(=O)CC(NNC)C(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-4-6-8(5-2)16-10(18)7-9(17-15-3)11(12,13)14/h4-6,9,15,17H,1-2,7H2,3H3,(H,16,18)/b8-6+
InChIKeyIUVYSZOMMIZHQN-SOFGYWHQSA-N
MW263.26 g/mol
LogP1.40
Rot. Bonds7

About 4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide

4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide (PubChem CID 143768717) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide
PubChem CID143768717
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide
SMILESC=C/C=C(\C=C)NC(=O)CC(NNC)C(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-4-6-8(5-2)16-10(18)7-9(17-15-3)11(12,13)14/h4-6,9,15,17H,1-2,7H2,3H3,(H,16,18)/b8-6+
InChIKeyIUVYSZOMMIZHQN-SOFGYWHQSA-N
XLogP1.40
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide
CID 143657670
4,4,4-trifluoro-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(methylamino)butanamide
CID 143768458
ethane;4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(methylamino)butanamide
CID 143768468
4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(methylamino)butanamide
CID 143768469
propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide
CID 143768559
(5S)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-methylpyrazolidin-3-one
CID 88992335

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide (CID 143768717) is 4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide is C=C/C=C(\C=C)NC(=O)CC(NNC)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide?
The InChIKey is IUVYSZOMMIZHQN-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-4-6-8(5-2)16-10(18)7-9(17-15-3)11(12,13)14/h4-6,9,15,17H,1-2,7H2,3H3,(H,16,18)/b8-6+.
What are the key properties of 4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide?
4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide has a molecular weight of 263.26 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide is sourced from PubChem (CID 143768717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).