1,3-bis(4-fluorocyclohexyl)imidazol-1-ium

C15H23F2N2+ — CID 134963055

IUPAC1,3-bis(4-fluorocyclohexyl)imidazol-1-ium
SMILESFC1CCC(n2cc[n+](C3CCC(F)CC3)c2)CC1
InChIInChI=1S/C15H23F2N2/c16-12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(17)4-8-15/h9-15H,1-8H2/q+1
InChIKeyFCTAKTOCEVZQMJ-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.68
Rot. Bonds2

About 1,3-bis(4-fluorocyclohexyl)imidazol-1-ium

1,3-bis(4-fluorocyclohexyl)imidazol-1-ium (PubChem CID 134963055) has the molecular formula C15H23F2N2+ and a molecular weight of 269.36 g/mol. Its IUPAC name is 1,3-bis(4-fluorocyclohexyl)imidazol-1-ium.

Molecular Properties

Compound Name1,3-bis(4-fluorocyclohexyl)imidazol-1-ium
PubChem CID134963055
Molecular FormulaC15H23F2N2+
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1,3-bis(4-fluorocyclohexyl)imidazol-1-ium
SMILESFC1CCC(n2cc[n+](C3CCC(F)CC3)c2)CC1
InChIInChI=1S/C15H23F2N2/c16-12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(17)4-8-15/h9-15H,1-8H2/q+1
InChIKeyFCTAKTOCEVZQMJ-UHFFFAOYSA-N
XLogP3.68
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorocyclohexyl)imidazol-1-ium?
The IUPAC name of 1,3-bis(4-fluorocyclohexyl)imidazol-1-ium (CID 134963055) is 1,3-bis(4-fluorocyclohexyl)imidazol-1-ium.
What is the SMILES notation for 1,3-bis(4-fluorocyclohexyl)imidazol-1-ium?
The canonical SMILES for 1,3-bis(4-fluorocyclohexyl)imidazol-1-ium is FC1CCC(n2cc[n+](C3CCC(F)CC3)c2)CC1.
What is the InChIKey of 1,3-bis(4-fluorocyclohexyl)imidazol-1-ium?
The InChIKey is FCTAKTOCEVZQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N2/c16-12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(17)4-8-15/h9-15H,1-8H2/q+1.
What are the key properties of 1,3-bis(4-fluorocyclohexyl)imidazol-1-ium?
1,3-bis(4-fluorocyclohexyl)imidazol-1-ium has a molecular weight of 269.36 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorocyclohexyl)imidazol-1-ium is sourced from PubChem (CID 134963055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).