N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide

C12H18F2N2 — CID 142933945

IUPACN-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide
SMILESC/C=C(F)\C(F)=C/C=C/C(C)N(C)/C=N/C
InChIInChI=1S/C12H18F2N2/c1-5-11(13)12(14)8-6-7-10(2)16(4)9-15-3/h5-10H,1-4H3/b7-6+,11-5+,12-8+,15-9+
InChIKeyFFOCEAAQXQFOLU-NDHMMPOWSA-N
MW228.29 g/mol
LogP3.25
Rot. Bonds5

About N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide

N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide (PubChem CID 142933945) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound NameN-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide
PubChem CID142933945
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC NameN-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide
SMILESC/C=C(F)\C(F)=C/C=C/C(C)N(C)/C=N/C
InChIInChI=1S/C12H18F2N2/c1-5-11(13)12(14)8-6-7-10(2)16(4)9-15-3/h5-10H,1-4H3/b7-6+,11-5+,12-8+,15-9+
InChIKeyFFOCEAAQXQFOLU-NDHMMPOWSA-N
XLogP3.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
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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Related Compounds

N'-(3-fluorobuta-1,3-dien-2-yl)-N-[(3Z)-hexa-3,5-dienyl]-N-methylmethanimidamide
CID 156447090
N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide
CID 139453805
N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane
CID 142177969
N-methyl-N'-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-propan-2-ylmethanimidamide
CID 170199746
N,N'-dimethyl-N-[(E)-oct-4-en-3-yl]methanimidamide
CID 173602719
N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide
CID 142177970
5-[(1Z)-buta-1,3-dienyl]-1-methyl-4,5-dihydroimidazole
CID 142811011

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide?
The IUPAC name of N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide (CID 142933945) is N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide.
What is the SMILES notation for N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide?
The canonical SMILES for N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide is C/C=C(F)\C(F)=C/C=C/C(C)N(C)/C=N/C.
What is the InChIKey of N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide?
The InChIKey is FFOCEAAQXQFOLU-NDHMMPOWSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-5-11(13)12(14)8-6-7-10(2)16(4)9-15-3/h5-10H,1-4H3/b7-6+,11-5+,12-8+,15-9+.
What are the key properties of N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide?
N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide has a molecular weight of 228.29 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E,7E)-6,7-difluoronona-3,5,7-trien-2-yl]-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 142933945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).