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

C10H12F3IN2O — CID 143768843

IUPAC4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide
SMILESC=C/C=C(\C=C)NC(CC(=O)NI)C(F)(F)F
InChIInChI=1S/C10H12F3IN2O/c1-3-5-7(4-2)15-8(10(11,12)13)6-9(17)16-14/h3-5,8,15H,1-2,6H2,(H,16,17)/b7-5+
InChIKeyUGSBAIDOZLSDJA-FNORWQNLSA-N
MW360.12 g/mol
LogP2.62
Rot. Bonds6

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

4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide (PubChem CID 143768843) has the molecular formula C10H12F3IN2O and a molecular weight of 360.12 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide
PubChem CID143768843
Molecular FormulaC10H12F3IN2O
Molecular Weight360.12 g/mol
Exact Mass359.99
IUPAC Name4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide
SMILESC=C/C=C(\C=C)NC(CC(=O)NI)C(F)(F)F
InChIInChI=1S/C10H12F3IN2O/c1-3-5-7(4-2)15-8(10(11,12)13)6-9(17)16-14/h3-5,8,15H,1-2,6H2,(H,16,17)/b7-5+
InChIKeyUGSBAIDOZLSDJA-FNORWQNLSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.12
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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
4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide
CID 143768829
4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide
CID 143768560

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide?
The IUPAC name of 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide (CID 143768843) is 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide?
The canonical SMILES for 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide is C=C/C=C(\C=C)NC(CC(=O)NI)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide?
The InChIKey is UGSBAIDOZLSDJA-FNORWQNLSA-N. The full InChI is InChI=1S/C10H12F3IN2O/c1-3-5-7(4-2)15-8(10(11,12)13)6-9(17)16-14/h3-5,8,15H,1-2,6H2,(H,16,17)/b7-5+.
What are the key properties of 4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide?
4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide has a molecular weight of 360.12 g/mol, XLogP of 2.62, 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]-N-iodobutanamide is sourced from PubChem (CID 143768843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).