7-propan-2-yl-3-(trifluoromethyl)quinoline

C13H12F3N — CID 59352046

IUPAC7-propan-2-yl-3-(trifluoromethyl)quinoline
SMILESCC(C)c1ccc2cc(C(F)(F)F)cnc2c1
InChIInChI=1S/C13H12F3N/c1-8(2)9-3-4-10-5-11(13(14,15)16)7-17-12(10)6-9/h3-8H,1-2H3
InChIKeyFTHLZJXAPZJMSU-UHFFFAOYSA-N
MW239.24 g/mol
LogP4.38
Rot. Bonds1

About 7-propan-2-yl-3-(trifluoromethyl)quinoline

7-propan-2-yl-3-(trifluoromethyl)quinoline (PubChem CID 59352046) has the molecular formula C13H12F3N and a molecular weight of 239.24 g/mol. Its IUPAC name is 7-propan-2-yl-3-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name7-propan-2-yl-3-(trifluoromethyl)quinoline
PubChem CID59352046
Molecular FormulaC13H12F3N
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name7-propan-2-yl-3-(trifluoromethyl)quinoline
SMILESCC(C)c1ccc2cc(C(F)(F)F)cnc2c1
InChIInChI=1S/C13H12F3N/c1-8(2)9-3-4-10-5-11(13(14,15)16)7-17-12(10)6-9/h3-8H,1-2H3
InChIKeyFTHLZJXAPZJMSU-UHFFFAOYSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-3-(trifluoromethyl)quinoline?
The IUPAC name of 7-propan-2-yl-3-(trifluoromethyl)quinoline (CID 59352046) is 7-propan-2-yl-3-(trifluoromethyl)quinoline.
What is the SMILES notation for 7-propan-2-yl-3-(trifluoromethyl)quinoline?
The canonical SMILES for 7-propan-2-yl-3-(trifluoromethyl)quinoline is CC(C)c1ccc2cc(C(F)(F)F)cnc2c1.
What is the InChIKey of 7-propan-2-yl-3-(trifluoromethyl)quinoline?
The InChIKey is FTHLZJXAPZJMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N/c1-8(2)9-3-4-10-5-11(13(14,15)16)7-17-12(10)6-9/h3-8H,1-2H3.
What are the key properties of 7-propan-2-yl-3-(trifluoromethyl)quinoline?
7-propan-2-yl-3-(trifluoromethyl)quinoline has a molecular weight of 239.24 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-3-(trifluoromethyl)quinoline is sourced from PubChem (CID 59352046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).