7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline

C10H10F3N — CID 173058276

IUPAC7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline
SMILESFC(F)(F)C1=CC2=NCCCC2C=C1
InChIInChI=1S/C10H10F3N/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8/h3-4,6-7H,1-2,5H2
InChIKeyGPUXRQWTBRJRDB-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.90
Rot. Bonds

About 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline

7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline (PubChem CID 173058276) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline.

Molecular Properties

Compound Name7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline
PubChem CID173058276
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline
SMILESFC(F)(F)C1=CC2=NCCCC2C=C1
InChIInChI=1S/C10H10F3N/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8/h3-4,6-7H,1-2,5H2
InChIKeyGPUXRQWTBRJRDB-UHFFFAOYSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
Fluorotetrahydrocyclopenta[c]quinoline
CID 129814042
Tetrahydro 3h cyclopenta[c]quinoline
CID 66841971
8-(fluoromethyl)-4,4a-dimethyl-2-(trifluoromethyl)-8aH-quinoline
CID 71022478
2-(Trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium
CID 71252704
6-(Difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine
CID 90977674
2-Ethyl-6-fluoro-4a,5,8,8a-tetrahydroquinoline
CID 130413096
6-[5-(2,2,2-Trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine
CID 142832138
5-Fluoro-4-methyl-8-propan-2-yl-2,3-dihydroquinoline
CID 144455889
9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine;molecular hydrogen
CID 156752584
3-Fluoro-5-propan-2-yl-2,3-dihydroquinoline
CID 163719688
4-Methyl-8-(trifluoromethyl)-2,3-dihydroquinoline
CID 170409083

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline?
The IUPAC name of 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline (CID 173058276) is 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline.
What is the SMILES notation for 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline?
The canonical SMILES for 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline is FC(F)(F)C1=CC2=NCCCC2C=C1.
What is the InChIKey of 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline?
The InChIKey is GPUXRQWTBRJRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8/h3-4,6-7H,1-2,5H2.
What are the key properties of 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline?
7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline has a molecular weight of 201.19 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline is sourced from PubChem (CID 173058276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).