N'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine

C12H22F2N2 — CID 142944403

IUPACN'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine
SMILESCC/C=C(\C=C/CN(C)CCNC)C(F)F
InChIInChI=1S/C12H22F2N2/c1-4-6-11(12(13)14)7-5-9-16(3)10-8-15-2/h5-7,12,15H,4,8-10H2,1-3H3/b7-5-,11-6+
InChIKeyYBXIEQDHGQPPQI-LAVHUSFLSA-N
MW232.32 g/mol
LogP2.30
Rot. Bonds8

About N'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine

N'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 142944403) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is N'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID142944403
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC NameN'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine
SMILESCC/C=C(\C=C/CN(C)CCNC)C(F)F
InChIInChI=1S/C12H22F2N2/c1-4-6-11(12(13)14)7-5-9-16(3)10-8-15-2/h5-7,12,15H,4,8-10H2,1-3H3/b7-5-,11-6+
InChIKeyYBXIEQDHGQPPQI-LAVHUSFLSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine (CID 142944403) is N'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine is CC/C=C(\C=C/CN(C)CCNC)C(F)F.
What is the InChIKey of N'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is YBXIEQDHGQPPQI-LAVHUSFLSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-4-6-11(12(13)14)7-5-9-16(3)10-8-15-2/h5-7,12,15H,4,8-10H2,1-3H3/b7-5-,11-6+.
What are the key properties of N'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 232.32 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2Z,4E)-4-(difluoromethyl)hepta-2,4-dienyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 142944403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).