N'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide

C10H14F2N2 — CID 162606380

IUPACN'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide
SMILESC=C/C(N)=N\C=C/C(=C)C(F)(F)CC
InChIInChI=1S/C10H14F2N2/c1-4-9(13)14-7-6-8(3)10(11,12)5-2/h4,6-7H,1,3,5H2,2H3,(H2,13,14)/b7-6-
InChIKeyBZLYTBIPVXHAAV-SREVYHEPSA-N
MW200.23 g/mol
LogP2.64
Rot. Bonds5

About N'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide

N'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide (PubChem CID 162606380) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is N'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide.

Molecular Properties

Compound NameN'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide
PubChem CID162606380
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC NameN'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide
SMILESC=C/C(N)=N\C=C/C(=C)C(F)(F)CC
InChIInChI=1S/C10H14F2N2/c1-4-9(13)14-7-6-8(3)10(11,12)5-2/h4,6-7H,1,3,5H2,2H3,(H2,13,14)/b7-6-
InChIKeyBZLYTBIPVXHAAV-SREVYHEPSA-N
XLogP2.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide?
The IUPAC name of N'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide (CID 162606380) is N'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide.
What is the SMILES notation for N'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide?
The canonical SMILES for N'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide is C=C/C(N)=N\C=C/C(=C)C(F)(F)CC.
What is the InChIKey of N'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide?
The InChIKey is BZLYTBIPVXHAAV-SREVYHEPSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-4-9(13)14-7-6-8(3)10(11,12)5-2/h4,6-7H,1,3,5H2,2H3,(H2,13,14)/b7-6-.
What are the key properties of N'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide?
N'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide has a molecular weight of 200.23 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4,4-difluoro-3-methylidenehex-1-enyl]prop-2-enimidamide is sourced from PubChem (CID 162606380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).