2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C10H16F3N — CID 19973233

IUPAC2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESFC(F)(F)C1CCC2CCCCC2N1
InChIInChI=1S/C10H16F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h7-9,14H,1-6H2
InChIKeyNJJWRGLZAAQKSX-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.86
Rot. Bonds

About 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 19973233) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID19973233
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESFC(F)(F)C1CCC2CCCCC2N1
InChIInChI=1S/C10H16F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h7-9,14H,1-6H2
InChIKeyNJJWRGLZAAQKSX-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Decahydroquinoline
CID 92911
Quinoline, decahydro-, (4aR,8aS)-rel-
CID 66078
rel-(4aR,8aR)-Decahydroquinoline
CID 66313
2-Methyldecahydroquinoline (mixture of isomers)
CID 524016
4-Methyl-decahydroquinoline
CID 524017
Quinoline, decahydro-, cis-
CID 6994355
6-Methyl-decahydroquinoline
CID 429040
(4aS,8aR)-Decahydroquinoline
CID 6994352
Tetradecahydroacridine
CID 140130
3-Methyl-decahydroquinoline hydrochloride
CID 67337749
Decahydroquinoline--hydrogen bromide (1/1)
CID 71357222
cis-Decahydro-quinoline hydrochloride
CID 12229428

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 19973233) is 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is FC(F)(F)C1CCC2CCCCC2N1.
What is the InChIKey of 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is NJJWRGLZAAQKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h7-9,14H,1-6H2.
What are the key properties of 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 207.24 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 19973233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).