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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Related Compounds

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
(4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine
CID 66694342
(2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
CID 66695539
(2R)-2-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840
cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine
CID 89089180
(2R)-2-[5-(fluoromethyl)-2,5-dihydro-1H-pyrrol-2-yl]-4-(trifluoromethyl)cyclohex-3-en-1-amine
CID 90434015
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
2-(4-Fluoro-3-methylcyclohex-3-en-1-yl)-3-(3-propan-2-yl-4-propylcyclohexa-1,5-dien-1-yl)pyrrolidine
CID 123157584
2-(3-Fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
CID 123214823
4-Fluoro-2-(3-methylpent-1-en-2-yl)pyrrolidine
CID 123254453
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-diethylpyrrolidine
CID 123310293

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).