N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide

C12H20F2N2O — CID 89214760

IUPACN-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide
SMILESCNCCCCC(=O)NC/C=C\C(F)=C/CF
InChIInChI=1S/C12H20F2N2O/c1-15-9-3-2-6-12(17)16-10-4-5-11(14)7-8-13/h4-5,7,15H,2-3,6,8-10H2,1H3,(H,16,17)/b5-4-,11-7+
InChIKeyLNPZHZPXBRCDBU-DNFZQOLXSA-N
MW246.30 g/mol
LogP1.87
Rot. Bonds9

About N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide

N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide (PubChem CID 89214760) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide.

Molecular Properties

Compound NameN-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide
PubChem CID89214760
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC NameN-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide
SMILESCNCCCCC(=O)NC/C=C\C(F)=C/CF
InChIInChI=1S/C12H20F2N2O/c1-15-9-3-2-6-12(17)16-10-4-5-11(14)7-8-13/h4-5,7,15H,2-3,6,8-10H2,1H3,(H,16,17)/b5-4-,11-7+
InChIKeyLNPZHZPXBRCDBU-DNFZQOLXSA-N
XLogP1.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide?
The IUPAC name of N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide (CID 89214760) is N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide.
What is the SMILES notation for N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide?
The canonical SMILES for N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide is CNCCCCC(=O)NC/C=C\C(F)=C/CF.
What is the InChIKey of N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide?
The InChIKey is LNPZHZPXBRCDBU-DNFZQOLXSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-15-9-3-2-6-12(17)16-10-4-5-11(14)7-8-13/h4-5,7,15H,2-3,6,8-10H2,1H3,(H,16,17)/b5-4-,11-7+.
What are the key properties of N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide?
N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide has a molecular weight of 246.30 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide is sourced from PubChem (CID 89214760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).