(3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide

C15H19F2NO — CID 163950109

IUPAC(3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide
SMILESC=C/C(C)=C(\C=C)NC(=O)C/C=C\C(=C/C)C(F)F
InChIInChI=1S/C15H19F2NO/c1-5-11(4)13(7-3)18-14(19)10-8-9-12(6-2)15(16)17/h5-9,15H,1,3,10H2,2,4H3,(H,18,19)/b9-8-,12-6+,13-11+
InChIKeyRYPAJZBIMWAODZ-YNYHJPQKSA-N
MW267.32 g/mol
LogP3.91
Rot. Bonds7

About (3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide

(3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide (PubChem CID 163950109) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is (3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide
PubChem CID163950109
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name(3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide
SMILESC=C/C(C)=C(\C=C)NC(=O)C/C=C\C(=C/C)C(F)F
InChIInChI=1S/C15H19F2NO/c1-5-11(4)13(7-3)18-14(19)10-8-9-12(6-2)15(16)17/h5-9,15H,1,3,10H2,2,4H3,(H,18,19)/b9-8-,12-6+,13-11+
InChIKeyRYPAJZBIMWAODZ-YNYHJPQKSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide
CID 67558352
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546
N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide
CID 54172936
6-propan-2-yl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 59665145
6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517869
N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide
CID 122661471
3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]butanamide
CID 123172088
N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide
CID 123432723
3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one
CID 123654562
N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide
CID 123819181
2,2-dimethyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide
CID 123950583

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide?
The IUPAC name of (3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide (CID 163950109) is (3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide.
What is the SMILES notation for (3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide?
The canonical SMILES for (3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide is C=C/C(C)=C(\C=C)NC(=O)C/C=C\C(=C/C)C(F)F.
What is the InChIKey of (3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide?
The InChIKey is RYPAJZBIMWAODZ-YNYHJPQKSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-5-11(4)13(7-3)18-14(19)10-8-9-12(6-2)15(16)17/h5-9,15H,1,3,10H2,2,4H3,(H,18,19)/b9-8-,12-6+,13-11+.
What are the key properties of (3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide?
(3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide has a molecular weight of 267.32 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide is sourced from PubChem (CID 163950109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).