3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C13H16F3N — CID 63386374

IUPAC3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CNc2c(cccc2C(F)(F)F)C1
InChIInChI=1S/C13H16F3N/c1-2-4-9-7-10-5-3-6-11(13(14,15)16)12(10)17-8-9/h3,5-6,9,17H,2,4,7-8H2,1H3
InChIKeyFSTRGRCPNZFXGE-UHFFFAOYSA-N
MW243.27 g/mol
LogP4.09
Rot. Bonds2

About 3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 63386374) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID63386374
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CNc2c(cccc2C(F)(F)F)C1
InChIInChI=1S/C13H16F3N/c1-2-4-9-7-10-5-3-6-11(13(14,15)16)12(10)17-8-9/h3,5-6,9,17H,2,4,7-8H2,1H3
InChIKeyFSTRGRCPNZFXGE-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 63386374) is 3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is CCCC1CNc2c(cccc2C(F)(F)F)C1.
What is the InChIKey of 3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is FSTRGRCPNZFXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-2-4-9-7-10-5-3-6-11(13(14,15)16)12(10)17-8-9/h3,5-6,9,17H,2,4,7-8H2,1H3.
What are the key properties of 3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 243.27 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63386374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).