N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide

C12H15F2NO — CID 155276570

IUPACN-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide
SMILESC=C(/C=C\C(F)=C(/C)F)NC(=O)C1(C)CC1
InChIInChI=1S/C12H15F2NO/c1-8(4-5-10(14)9(2)13)15-11(16)12(3)6-7-12/h4-5H,1,6-7H2,2-3H3,(H,15,16)/b5-4-,10-9-
InChIKeyOVKPFRWSEGGODX-ACHWKMRWSA-N
MW227.25 g/mol
LogP3.14
Rot. Bonds4

About N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide

N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide (PubChem CID 155276570) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide
PubChem CID155276570
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide
SMILESC=C(/C=C\C(F)=C(/C)F)NC(=O)C1(C)CC1
InChIInChI=1S/C12H15F2NO/c1-8(4-5-10(14)9(2)13)15-11(16)12(3)6-7-12/h4-5H,1,6-7H2,2-3H3,(H,15,16)/b5-4-,10-9-
InChIKeyOVKPFRWSEGGODX-ACHWKMRWSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide (CID 155276570) is N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide is C=C(/C=C\C(F)=C(/C)F)NC(=O)C1(C)CC1.
What is the InChIKey of N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is OVKPFRWSEGGODX-ACHWKMRWSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-8(4-5-10(14)9(2)13)15-11(16)12(3)6-7-12/h4-5H,1,6-7H2,2-3H3,(H,15,16)/b5-4-,10-9-.
What are the key properties of N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide?
N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 227.25 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 155276570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).