(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide

C12H20F2N2 — CID 169247484

IUPAC(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide
SMILESCC/C=C(\N=C(N)\C=C(/C)CCC)C(F)F
InChIInChI=1S/C12H20F2N2/c1-4-6-9(3)8-11(15)16-10(7-5-2)12(13)14/h7-8,12H,4-6H2,1-3H3,(H2,15,16)/b9-8+,10-7-
InChIKeyPEOCITDMLAPFLX-AZRUORMVSA-N
MW230.30 g/mol
LogP3.65
Rot. Bonds6

About (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide

(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide (PubChem CID 169247484) has the molecular formula C12H20F2N2 and a molecular weight of 230.30 g/mol. Its IUPAC name is (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide
PubChem CID169247484
Molecular FormulaC12H20F2N2
Molecular Weight230.30 g/mol
Exact Mass230.16
IUPAC Name(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide
SMILESCC/C=C(\N=C(N)\C=C(/C)CCC)C(F)F
InChIInChI=1S/C12H20F2N2/c1-4-6-9(3)8-11(15)16-10(7-5-2)12(13)14/h7-8,12H,4-6H2,1-3H3,(H2,15,16)/b9-8+,10-7-
InChIKeyPEOCITDMLAPFLX-AZRUORMVSA-N
XLogP3.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 53.65
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'}

Analyze (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide 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 (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide?
The IUPAC name of (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide (CID 169247484) is (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide.
What is the SMILES notation for (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide?
The canonical SMILES for (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide is CC/C=C(\N=C(N)\C=C(/C)CCC)C(F)F.
What is the InChIKey of (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide?
The InChIKey is PEOCITDMLAPFLX-AZRUORMVSA-N. The full InChI is InChI=1S/C12H20F2N2/c1-4-6-9(3)8-11(15)16-10(7-5-2)12(13)14/h7-8,12H,4-6H2,1-3H3,(H2,15,16)/b9-8+,10-7-.
What are the key properties of (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide?
(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide has a molecular weight of 230.30 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide is sourced from PubChem (CID 169247484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).