2-propyl-3-(trifluoromethyl)quinoline

C13H12F3N — CID 10243318

IUPAC2-propyl-3-(trifluoromethyl)quinoline
SMILESCCCc1nc2ccccc2cc1C(F)(F)F
InChIInChI=1S/C13H12F3N/c1-2-5-12-10(13(14,15)16)8-9-6-3-4-7-11(9)17-12/h3-4,6-8H,2,5H2,1H3
InChIKeyMNSHQWXZEZCHSF-UHFFFAOYSA-N
MW239.24 g/mol
LogP4.21
Rot. Bonds2

About 2-propyl-3-(trifluoromethyl)quinoline

2-propyl-3-(trifluoromethyl)quinoline (PubChem CID 10243318) has the molecular formula C13H12F3N and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-propyl-3-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-propyl-3-(trifluoromethyl)quinoline
PubChem CID10243318
Molecular FormulaC13H12F3N
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name2-propyl-3-(trifluoromethyl)quinoline
SMILESCCCc1nc2ccccc2cc1C(F)(F)F
InChIInChI=1S/C13H12F3N/c1-2-5-12-10(13(14,15)16)8-9-6-3-4-7-11(9)17-12/h3-4,6-8H,2,5H2,1H3
InChIKeyMNSHQWXZEZCHSF-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tacrine
CID 1935
Quinoline
CID 7047
Acridine
CID 9215
6-Methylquinoline
CID 7059
9-Aminoacridine
CID 7019
2-Methylquinoline
CID 7060
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine hydrochloride
CID 8643
4-Methylquinoline
CID 10285
8-Methylquinoline
CID 11910
2,6-Dimethylquinoline
CID 13414
2-Phenylquinoline
CID 71545

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-(trifluoromethyl)quinoline?
The IUPAC name of 2-propyl-3-(trifluoromethyl)quinoline (CID 10243318) is 2-propyl-3-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-propyl-3-(trifluoromethyl)quinoline?
The canonical SMILES for 2-propyl-3-(trifluoromethyl)quinoline is CCCc1nc2ccccc2cc1C(F)(F)F.
What is the InChIKey of 2-propyl-3-(trifluoromethyl)quinoline?
The InChIKey is MNSHQWXZEZCHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N/c1-2-5-12-10(13(14,15)16)8-9-6-3-4-7-11(9)17-12/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 2-propyl-3-(trifluoromethyl)quinoline?
2-propyl-3-(trifluoromethyl)quinoline has a molecular weight of 239.24 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-(trifluoromethyl)quinoline is sourced from PubChem (CID 10243318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).