2-[3-(difluoromethyl)azetidin-1-yl]quinoline

C13H12F2N2 — CID 171326611

IUPAC2-[3-(difluoromethyl)azetidin-1-yl]quinoline
SMILESFC(F)C1CN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C13H12F2N2/c14-13(15)10-7-17(8-10)12-6-5-9-3-1-2-4-11(9)16-12/h1-6,10,13H,7-8H2
InChIKeyAFMUNACAQGLZCJ-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.94
Rot. Bonds2

About 2-[3-(difluoromethyl)azetidin-1-yl]quinoline

2-[3-(difluoromethyl)azetidin-1-yl]quinoline (PubChem CID 171326611) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-(difluoromethyl)azetidin-1-yl]quinoline
PubChem CID171326611
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[3-(difluoromethyl)azetidin-1-yl]quinoline
SMILESFC(F)C1CN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C13H12F2N2/c14-13(15)10-7-17(8-10)12-6-5-9-3-1-2-4-11(9)16-12/h1-6,10,13H,7-8H2
InChIKeyAFMUNACAQGLZCJ-UHFFFAOYSA-N
XLogP2.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-(difluoromethyl)azetidin-1-yl]quinoline (CID 171326611) is 2-[3-(difluoromethyl)azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-(difluoromethyl)azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-(difluoromethyl)azetidin-1-yl]quinoline is FC(F)C1CN(c2ccc3ccccc3n2)C1.
What is the InChIKey of 2-[3-(difluoromethyl)azetidin-1-yl]quinoline?
The InChIKey is AFMUNACAQGLZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c14-13(15)10-7-17(8-10)12-6-5-9-3-1-2-4-11(9)16-12/h1-6,10,13H,7-8H2.
What are the key properties of 2-[3-(difluoromethyl)azetidin-1-yl]quinoline?
2-[3-(difluoromethyl)azetidin-1-yl]quinoline has a molecular weight of 234.25 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)azetidin-1-yl]quinoline is sourced from PubChem (CID 171326611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).