3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C14H18F3N — CID 63386426

IUPAC3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1CNc2c(cccc2C(F)(F)F)C1
InChIInChI=1S/C14H18F3N/c1-13(2,3)10-7-9-5-4-6-11(14(15,16)17)12(9)18-8-10/h4-6,10,18H,7-8H2,1-3H3
InChIKeyUMNZQUNCIGIFHY-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.34
Rot. Bonds

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

3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 63386426) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID63386426
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1CNc2c(cccc2C(F)(F)F)C1
InChIInChI=1S/C14H18F3N/c1-13(2,3)10-7-9-5-4-6-11(14(15,16)17)12(9)18-8-10/h4-6,10,18H,7-8H2,1-3H3
InChIKeyUMNZQUNCIGIFHY-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 63386426) is 3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is CC(C)(C)C1CNc2c(cccc2C(F)(F)F)C1.
What is the InChIKey of 3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is UMNZQUNCIGIFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-13(2,3)10-7-9-5-4-6-11(14(15,16)17)12(9)18-8-10/h4-6,10,18H,7-8H2,1-3H3.
What are the key properties of 3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 257.30 g/mol, XLogP of 4.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63386426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).