4-[3-(trifluoromethyl)azetidin-1-yl]quinoline

C13H11F3N2 — CID 163356425

IUPAC4-[3-(trifluoromethyl)azetidin-1-yl]quinoline
SMILESFC(F)(F)C1CN(c2ccnc3ccccc23)C1
InChIInChI=1S/C13H11F3N2/c14-13(15,16)9-7-18(8-9)12-5-6-17-11-4-2-1-3-10(11)12/h1-6,9H,7-8H2
InChIKeyZDSIWRVITMUKRG-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.23
Rot. Bonds1

About 4-[3-(trifluoromethyl)azetidin-1-yl]quinoline

4-[3-(trifluoromethyl)azetidin-1-yl]quinoline (PubChem CID 163356425) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)azetidin-1-yl]quinoline.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)azetidin-1-yl]quinoline
PubChem CID163356425
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name4-[3-(trifluoromethyl)azetidin-1-yl]quinoline
SMILESFC(F)(F)C1CN(c2ccnc3ccccc23)C1
InChIInChI=1S/C13H11F3N2/c14-13(15,16)9-7-18(8-9)12-5-6-17-11-4-2-1-3-10(11)12/h1-6,9H,7-8H2
InChIKeyZDSIWRVITMUKRG-UHFFFAOYSA-N
XLogP3.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)azetidin-1-yl]quinoline?
The IUPAC name of 4-[3-(trifluoromethyl)azetidin-1-yl]quinoline (CID 163356425) is 4-[3-(trifluoromethyl)azetidin-1-yl]quinoline.
What is the SMILES notation for 4-[3-(trifluoromethyl)azetidin-1-yl]quinoline?
The canonical SMILES for 4-[3-(trifluoromethyl)azetidin-1-yl]quinoline is FC(F)(F)C1CN(c2ccnc3ccccc23)C1.
What is the InChIKey of 4-[3-(trifluoromethyl)azetidin-1-yl]quinoline?
The InChIKey is ZDSIWRVITMUKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-13(15,16)9-7-18(8-9)12-5-6-17-11-4-2-1-3-10(11)12/h1-6,9H,7-8H2.
What are the key properties of 4-[3-(trifluoromethyl)azetidin-1-yl]quinoline?
4-[3-(trifluoromethyl)azetidin-1-yl]quinoline has a molecular weight of 252.24 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)azetidin-1-yl]quinoline is sourced from PubChem (CID 163356425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).