5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine

C12H19F2N — CID 123882757

IUPAC5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine
SMILESCC1CC(C2C(F)C=CCC2F)NC1C
InChIInChI=1S/C12H19F2N/c1-7-6-11(15-8(7)2)12-9(13)4-3-5-10(12)14/h3-4,7-12,15H,5-6H2,1-2H3
InChIKeyJQLSOCICTCXLQQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.63
Rot. Bonds1

About 5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine

5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine (PubChem CID 123882757) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine.

Molecular Properties

Compound Name5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine
PubChem CID123882757
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine
SMILESCC1CC(C2C(F)C=CCC2F)NC1C
InChIInChI=1S/C12H19F2N/c1-7-6-11(15-8(7)2)12-9(13)4-3-5-10(12)14/h3-4,7-12,15H,5-6H2,1-2H3
InChIKeyJQLSOCICTCXLQQ-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine?
The IUPAC name of 5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine (CID 123882757) is 5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine.
What is the SMILES notation for 5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine?
The canonical SMILES for 5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine is CC1CC(C2C(F)C=CCC2F)NC1C.
What is the InChIKey of 5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine?
The InChIKey is JQLSOCICTCXLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N/c1-7-6-11(15-8(7)2)12-9(13)4-3-5-10(12)14/h3-4,7-12,15H,5-6H2,1-2H3.
What are the key properties of 5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine?
5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine has a molecular weight of 215.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine is sourced from PubChem (CID 123882757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).