1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline

C13H16F3N — CID 176766892

IUPAC1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline
SMILESCC(C)N1CCC(C(F)(F)F)c2ccccc21
InChIInChI=1S/C13H16F3N/c1-9(2)17-8-7-11(13(14,15)16)10-5-3-4-6-12(10)17/h3-6,9,11H,7-8H2,1-2H3
InChIKeyIULAFEMMNVFCSH-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.95
Rot. Bonds1

About 1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline

1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline (PubChem CID 176766892) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline
PubChem CID176766892
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline
SMILESCC(C)N1CCC(C(F)(F)F)c2ccccc21
InChIInChI=1S/C13H16F3N/c1-9(2)17-8-7-11(13(14,15)16)10-5-3-4-6-12(10)17/h3-6,9,11H,7-8H2,1-2H3
InChIKeyIULAFEMMNVFCSH-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline (CID 176766892) is 1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline is CC(C)N1CCC(C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is IULAFEMMNVFCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-9(2)17-8-7-11(13(14,15)16)10-5-3-4-6-12(10)17/h3-6,9,11H,7-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 243.27 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(trifluoromethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 176766892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).