[2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate

C7H14ClF6N2P — CID 74890630

IUPAC[2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate
SMILESCN(C)C=C(Cl)C=[N+](C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1
InChIKeyPIUHAULDXSPPQV-UHFFFAOYSA-N
MW306.62 g/mol
LogP4.35
Rot. Bonds2

About [2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate

[2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate (PubChem CID 74890630) has the molecular formula C7H14ClF6N2P and a molecular weight of 306.62 g/mol. Its IUPAC name is [2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate.

Molecular Properties

Compound Name[2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate
PubChem CID74890630
Molecular FormulaC7H14ClF6N2P
Molecular Weight306.62 g/mol
Exact Mass306.05
IUPAC Name[2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate
SMILESCN(C)C=C(Cl)C=[N+](C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1
InChIKeyPIUHAULDXSPPQV-UHFFFAOYSA-N
XLogP4.35
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.62
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate
CID 10590807
(Z)-N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminium
CID 10590808
[2-Chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 54540575
(Z)-N-(3-(Dimethylamino)-2-iodoallylidene)-N-methylmethanaminium hexafluorophosphate(V)
CID 10501024
[(Z)-2-chloro-3-[di(propan-2-yl)amino]prop-2-enylidene]-di(propan-2-yl)azanium hexafluorophosphate
CID 11774439
[(E)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate
CID 10892151
[(E)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 10892152
(Z)-2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
CID 20667853
(E)-2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
CID 59959970
2-chloro-N,N-dimethyl-3-methyliminoprop-1-en-1-amine
CID 72607322
6-Chloro-1,4-dimethyl-2,3-dihydro-1,4-diazepin-1-ium hexafluorophosphate
CID 10828378
[(Z)-3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium hexafluorophosphate
CID 72212369

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
The IUPAC name of [2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate (CID 74890630) is [2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate.
What is the SMILES notation for [2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
The canonical SMILES for [2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate is CN(C)C=C(Cl)C=[N+](C)C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of [2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
The InChIKey is PIUHAULDXSPPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1.
What are the key properties of [2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
[2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate has a molecular weight of 306.62 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium hexafluorophosphate is sourced from PubChem (CID 74890630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).