4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C14H17F3N2 — CID 22735256

IUPAC4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1ccc2c(c1)C(N1CCCC1)CCN2
InChIInChI=1S/C14H17F3N2/c15-14(16,17)10-3-4-12-11(9-10)13(5-6-18-12)19-7-1-2-8-19/h3-4,9,13,18H,1-2,5-8H2
InChIKeyZUSQTDASPBMUQR-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.66
Rot. Bonds1

About 4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 22735256) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID22735256
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1ccc2c(c1)C(N1CCCC1)CCN2
InChIInChI=1S/C14H17F3N2/c15-14(16,17)10-3-4-12-11(9-10)13(5-6-18-12)19-7-1-2-8-19/h3-4,9,13,18H,1-2,5-8H2
InChIKeyZUSQTDASPBMUQR-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 22735256) is 4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is FC(F)(F)c1ccc2c(c1)C(N1CCCC1)CCN2.
What is the InChIKey of 4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZUSQTDASPBMUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c15-14(16,17)10-3-4-12-11(9-10)13(5-6-18-12)19-7-1-2-8-19/h3-4,9,13,18H,1-2,5-8H2.
What are the key properties of 4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 270.30 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 22735256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).