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

C10H13F3N2O — CID 143768829

IUPAC4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide
SMILESC=C/C=C(\C=C)NC(CC(N)=O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-3-5-7(4-2)15-8(6-9(14)16)10(11,12)13/h3-5,8,15H,1-2,6H2,(H2,14,16)/b7-5+
InChIKeyVWVXFTMFLBVNKJ-FNORWQNLSA-N
MW234.22 g/mol
LogP1.64
Rot. Bonds6

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

4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide (PubChem CID 143768829) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide
PubChem CID143768829
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide
SMILESC=C/C=C(\C=C)NC(CC(N)=O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-3-5-7(4-2)15-8(6-9(14)16)10(11,12)13/h3-5,8,15H,1-2,6H2,(H2,14,16)/b7-5+
InChIKeyVWVXFTMFLBVNKJ-FNORWQNLSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide
CID 143768843
4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide
CID 143768560
3-amino-N-[(3Z)-penta-1,3-dien-2-yl]butanamide
CID 156221883

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide?
The IUPAC name of 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide (CID 143768829) is 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide is C=C/C=C(\C=C)NC(CC(N)=O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide?
The InChIKey is VWVXFTMFLBVNKJ-FNORWQNLSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-3-5-7(4-2)15-8(6-9(14)16)10(11,12)13/h3-5,8,15H,1-2,6H2,(H2,14,16)/b7-5+.
What are the key properties of 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide?
4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide has a molecular weight of 234.22 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide is sourced from PubChem (CID 143768829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).