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

C10H10F3N — CID 71252705

IUPAC2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline
SMILESFC(F)(F)C1CCC2C=CC=CC2=N1
InChIInChI=1S/C10H10F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-4,7,9H,5-6H2
InChIKeyCFXAHTFSFMPIFK-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.89
Rot. Bonds

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

2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline (PubChem CID 71252705) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline.

Molecular Properties

Compound Name2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline
PubChem CID71252705
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline
SMILESFC(F)(F)C1CCC2C=CC=CC2=N1
InChIInChI=1S/C10H10F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-4,7,9H,5-6H2
InChIKeyCFXAHTFSFMPIFK-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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
2-(Trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium
CID 71252704
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
7-(Trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium
CID 173058275
3-(4a,5,6,7,8,8a-Hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine
CID 160668446
2-(4,6-Difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine
CID 164766148
7-(Trifluoromethyl)-2,3,4,4a-tetrahydroquinoline
CID 173058276
2,3,4,4a-Tetrahydroquinoline
CID 20394214
2,3,4,4a,5,8-Hexahydroquinoline
CID 57072516
(4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline
CID 67595251

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline?
The IUPAC name of 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline (CID 71252705) is 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline.
What is the SMILES notation for 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline?
The canonical SMILES for 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline is FC(F)(F)C1CCC2C=CC=CC2=N1.
What is the InChIKey of 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline?
The InChIKey is CFXAHTFSFMPIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-4,7,9H,5-6H2.
What are the key properties of 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline?
2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline has a molecular weight of 201.19 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinoline is sourced from PubChem (CID 71252705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).