(1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium

C15H19FN+ — CID 163652523

IUPAC(1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium
SMILESC[N+]#C[C@]1(c2cccc(F)c2)CCCCC1C
InChIInChI=1S/C15H19FN/c1-12-6-3-4-9-15(12,11-17-2)13-7-5-8-14(16)10-13/h5,7-8,10,12H,3-4,6,9H2,1-2H3/q+1/t12?,15-/m1/s1
InChIKeyILIQROMWMUGKMR-WPZCJLIBSA-N
MW232.32 g/mol
LogP4.24
Rot. Bonds1

About (1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium

(1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium (PubChem CID 163652523) has the molecular formula C15H19FN+ and a molecular weight of 232.32 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium
PubChem CID163652523
Molecular FormulaC15H19FN+
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium
SMILESC[N+]#C[C@]1(c2cccc(F)c2)CCCCC1C
InChIInChI=1S/C15H19FN/c1-12-6-3-4-9-15(12,11-17-2)13-7-5-8-14(16)10-13/h5,7-8,10,12H,3-4,6,9H2,1-2H3/q+1/t12?,15-/m1/s1
InChIKeyILIQROMWMUGKMR-WPZCJLIBSA-N
XLogP4.24
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium?
The IUPAC name of (1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium (CID 163652523) is (1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium is C[N+]#C[C@]1(c2cccc(F)c2)CCCCC1C.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium?
The InChIKey is ILIQROMWMUGKMR-WPZCJLIBSA-N. The full InChI is InChI=1S/C15H19FN/c1-12-6-3-4-9-15(12,11-17-2)13-7-5-8-14(16)10-13/h5,7-8,10,12H,3-4,6,9H2,1-2H3/q+1/t12?,15-/m1/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium?
(1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium has a molecular weight of 232.32 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluorophenyl)-N,2-dimethylcyclohexane-1-carbonitrilium is sourced from PubChem (CID 163652523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).