6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline

C10H10F3NO — CID 10878584

IUPAC6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)Oc1ccc2c(c1)CCCN2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)15-8-3-4-9-7(6-8)2-1-5-14-9/h3-4,6,14H,1-2,5H2
InChIKeyLCGAVGPJGRKTCR-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.94
Rot. Bonds1

About 6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline

6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 10878584) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID10878584
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)Oc1ccc2c(c1)CCCN2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)15-8-3-4-9-7(6-8)2-1-5-14-9/h3-4,6,14H,1-2,5H2
InChIKeyLCGAVGPJGRKTCR-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

Ethoxyquin
CID 3293
4-methoxy-2-methyl-N-phenylaniline
CID 162461
6-Ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 86013
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CID 67113
5-methoxy-2,3-dihydro-1H-indole
CID 10701974
6-(3-(Piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 9974962
6-methoxyspiro[1H-quinoline-2,1'-cyclohexane]
CID 10036794
1-(4-Methoxy-2-methylphenyl)piperazine
CID 10750797
6-ethoxyspiro[1H-quinoline-2,4'-piperidine]
CID 44383698
8-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 68803474

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline (CID 10878584) is 6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline is FC(F)(F)Oc1ccc2c(c1)CCCN2.
What is the InChIKey of 6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is LCGAVGPJGRKTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)15-8-3-4-9-7(6-8)2-1-5-14-9/h3-4,6,14H,1-2,5H2.
What are the key properties of 6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline?
6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 217.19 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 10878584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).