7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C10H10F3N — CID 2781139

IUPAC7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1ccc2c(c1)NCCC2
InChIInChI=1S/C10H10F3N/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8/h3-4,6,14H,1-2,5H2
InChIKeyRGZZKZNESVFQKR-UHFFFAOYSA-N
MW201.19 g/mol
LogP3.06
Rot. Bonds

About 7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 2781139) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID2781139
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1ccc2c(c1)NCCC2
InChIInChI=1S/C10H10F3N/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8/h3-4,6,14H,1-2,5H2
InChIKeyRGZZKZNESVFQKR-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
Acridan
CID 7106
1,2,3,4-Tetrahydroquinoline
CID 69460
TFMPP hydrochloride
CID 3084246
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
1-(2-(Trifluoromethyl)phenyl)piperazine
CID 2777670
5-Amino-1,2,3,4-tetrahydroisoquinoline
CID 16217499
9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 18520432
1-(3,5-Bis(trifluoromethyl)phenyl)piperazine
CID 770558
1-(2,5-Xylyl)piperazine
CID 70542

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 2781139) is 7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is FC(F)(F)c1ccc2c(c1)NCCC2.
What is the InChIKey of 7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is RGZZKZNESVFQKR-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/h3-4,6,14H,1-2,5H2.
What are the key properties of 7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 201.19 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 2781139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).