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

C11H16F3N — CID 91433918

IUPAC8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
SMILESC=C1CCCC2CCC(C(F)(F)F)NC12
InChIInChI=1S/C11H16F3N/c1-7-3-2-4-8-5-6-9(11(12,13)14)15-10(7)8/h8-10,15H,1-6H2
InChIKeyMRKUCTCCXBVEDV-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.03
Rot. Bonds

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

8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline (PubChem CID 91433918) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline.

Molecular Properties

Compound Name8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
PubChem CID91433918
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline
SMILESC=C1CCCC2CCC(C(F)(F)F)NC12
InChIInChI=1S/C11H16F3N/c1-7-3-2-4-8-5-6-9(11(12,13)14)15-10(7)8/h8-10,15H,1-6H2
InChIKeyMRKUCTCCXBVEDV-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.03
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 8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The IUPAC name of 8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline (CID 91433918) is 8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline.
What is the SMILES notation for 8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The canonical SMILES for 8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline is C=C1CCCC2CCC(C(F)(F)F)NC12.
What is the InChIKey of 8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
The InChIKey is MRKUCTCCXBVEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c1-7-3-2-4-8-5-6-9(11(12,13)14)15-10(7)8/h8-10,15H,1-6H2.
What are the key properties of 8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline?
8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline has a molecular weight of 219.25 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidene-2-(trifluoromethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-quinoline is sourced from PubChem (CID 91433918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).