4-butyl-8-(trifluoromethyl)quinoline

C14H14F3N — CID 90717731

IUPAC4-butyl-8-(trifluoromethyl)quinoline
SMILESCCCCc1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C14H14F3N/c1-2-3-5-10-8-9-18-13-11(10)6-4-7-12(13)14(15,16)17/h4,6-9H,2-3,5H2,1H3
InChIKeyXPENSCCTNUOTJS-UHFFFAOYSA-N
MW253.27 g/mol
LogP4.60
Rot. Bonds3

About 4-butyl-8-(trifluoromethyl)quinoline

4-butyl-8-(trifluoromethyl)quinoline (PubChem CID 90717731) has the molecular formula C14H14F3N and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-butyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-butyl-8-(trifluoromethyl)quinoline
PubChem CID90717731
Molecular FormulaC14H14F3N
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-butyl-8-(trifluoromethyl)quinoline
SMILESCCCCc1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C14H14F3N/c1-2-3-5-10-8-9-18-13-11(10)6-4-7-12(13)14(15,16)17/h4,6-9H,2-3,5H2,1H3
InChIKeyXPENSCCTNUOTJS-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-butyl-8-(trifluoromethyl)quinoline (CID 90717731) is 4-butyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-butyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-butyl-8-(trifluoromethyl)quinoline is CCCCc1ccnc2c(C(F)(F)F)cccc12.
What is the InChIKey of 4-butyl-8-(trifluoromethyl)quinoline?
The InChIKey is XPENSCCTNUOTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N/c1-2-3-5-10-8-9-18-13-11(10)6-4-7-12(13)14(15,16)17/h4,6-9H,2-3,5H2,1H3.
What are the key properties of 4-butyl-8-(trifluoromethyl)quinoline?
4-butyl-8-(trifluoromethyl)quinoline has a molecular weight of 253.27 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 90717731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).