2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline

C11H17F2N — CID 123548028

IUPAC2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline
SMILESC=C1CCC2NC(C(F)F)CCC2C1
InChIInChI=1S/C11H17F2N/c1-7-2-4-9-8(6-7)3-5-10(14-9)11(12)13/h8-11,14H,1-6H2
InChIKeyRCJHMUVUOWOVGF-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.73
Rot. Bonds1

About 2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline

2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline (PubChem CID 123548028) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline.

Molecular Properties

Compound Name2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline
PubChem CID123548028
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline
SMILESC=C1CCC2NC(C(F)F)CCC2C1
InChIInChI=1S/C11H17F2N/c1-7-2-4-9-8(6-7)3-5-10(14-9)11(12)13/h8-11,14H,1-6H2
InChIKeyRCJHMUVUOWOVGF-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.73
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

3,4,5,6,7,8,9,10-Octahydro-2-quinolone
CID 129800331
2-(Trifluoromethyl)-decahydroquinoline
CID 19973233
2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
4-chloro-6-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline
CID 91268681
8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
CID 91433918
5-chloro-6-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline
CID 91472447
6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
CID 123237214
N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757851
1-(4,4-difluorocyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105162988
1-(4,4-difluorocyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163075
1-(4,4-difluorocyclohexyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105163620
1-(4,4-difluorocyclohexyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163705

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline?
The IUPAC name of 2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline (CID 123548028) is 2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline.
What is the SMILES notation for 2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline?
The canonical SMILES for 2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline is C=C1CCC2NC(C(F)F)CCC2C1.
What is the InChIKey of 2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline?
The InChIKey is RCJHMUVUOWOVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N/c1-7-2-4-9-8(6-7)3-5-10(14-9)11(12)13/h8-11,14H,1-6H2.
What are the key properties of 2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline?
2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline has a molecular weight of 201.26 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline is sourced from PubChem (CID 123548028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).