3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline

C14H18F3NO — CID 63386367

IUPAC3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)C1CNc2c(cccc2OCC(F)(F)F)C1
InChIInChI=1S/C14H18F3NO/c1-9(2)11-6-10-4-3-5-12(13(10)18-7-11)19-8-14(15,16)17/h3-5,9,11,18H,6-8H2,1-2H3
InChIKeyYPXIUXMBUPXYRN-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.87
Rot. Bonds3

About 3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline

3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 63386367) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID63386367
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)C1CNc2c(cccc2OCC(F)(F)F)C1
InChIInChI=1S/C14H18F3NO/c1-9(2)11-6-10-4-3-5-12(13(10)18-7-11)19-8-14(15,16)17/h3-5,9,11,18H,6-8H2,1-2H3
InChIKeyYPXIUXMBUPXYRN-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline (CID 63386367) is 3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline is CC(C)C1CNc2c(cccc2OCC(F)(F)F)C1.
What is the InChIKey of 3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is YPXIUXMBUPXYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-9(2)11-6-10-4-3-5-12(13(10)18-7-11)19-8-14(15,16)17/h3-5,9,11,18H,6-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline?
3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 273.30 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63386367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).