2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline

C12H14F3N — CID 106779766

IUPAC2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)CCC1CCc2ccccc2N1
InChIInChI=1S/C12H14F3N/c13-12(14,15)8-7-10-6-5-9-3-1-2-4-11(9)16-10/h1-4,10,16H,5-8H2
InChIKeyCHZWVSQYIXOWPK-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.76
Rot. Bonds2

About 2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline

2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106779766) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline
PubChem CID106779766
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)CCC1CCc2ccccc2N1
InChIInChI=1S/C12H14F3N/c13-12(14,15)8-7-10-6-5-9-3-1-2-4-11(9)16-10/h1-4,10,16H,5-8H2
InChIKeyCHZWVSQYIXOWPK-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.76
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
Benzenamine, N-ethyl-2-methyl-
CID 7201
2-Mepp
CID 91965
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
1-(2-Ethylphenyl)piperazine
CID 2736460

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline (CID 106779766) is 2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline is FC(F)(F)CCC1CCc2ccccc2N1.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is CHZWVSQYIXOWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)8-7-10-6-5-9-3-1-2-4-11(9)16-10/h1-4,10,16H,5-8H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline?
2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 229.25 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106779766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).