2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate

C9H18ClF6N2P — CID 175863100

IUPAC2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate
SMILESCCCN1CC[N+](CCC)=C1Cl.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H18ClN2.F6P/c1-3-5-11-7-8-12(6-4-2)9(11)10;1-7(2,3,4,5)6/h3-8H2,1-2H3;/q+1;-1
InChIKeyWPBGSVKWJIXHEU-UHFFFAOYSA-N
MW334.67 g/mol
LogP5.11
Rot. Bonds4

About 2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate

2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate (PubChem CID 175863100) has the molecular formula C9H18ClF6N2P and a molecular weight of 334.67 g/mol. Its IUPAC name is 2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate.

Molecular Properties

Compound Name2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate
PubChem CID175863100
Molecular FormulaC9H18ClF6N2P
Molecular Weight334.67 g/mol
Exact Mass334.08
IUPAC Name2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate
SMILESCCCN1CC[N+](CCC)=C1Cl.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H18ClN2.F6P/c1-3-5-11-7-8-12(6-4-2)9(11)10;1-7(2,3,4,5)6/h3-8H2,1-2H3;/q+1;-1
InChIKeyWPBGSVKWJIXHEU-UHFFFAOYSA-N
XLogP5.11
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.67
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate?
The IUPAC name of 2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate (CID 175863100) is 2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate.
What is the SMILES notation for 2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate?
The canonical SMILES for 2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate is CCCN1CC[N+](CCC)=C1Cl.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate?
The InChIKey is WPBGSVKWJIXHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN2.F6P/c1-3-5-11-7-8-12(6-4-2)9(11)10;1-7(2,3,4,5)6/h3-8H2,1-2H3;/q+1;-1.
What are the key properties of 2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate?
2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate has a molecular weight of 334.67 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-dipropyl-4,5-dihydroimidazol-1-ium hexafluorophosphate is sourced from PubChem (CID 175863100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).