6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline

C13H11ClF2N2 — CID 163351362

IUPAC6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
SMILESFC1(F)CCN(c2ccc3cc(Cl)ccc3n2)C1
InChIInChI=1S/C13H11ClF2N2/c14-10-2-3-11-9(7-10)1-4-12(17-11)18-6-5-13(15,16)8-18/h1-4,7H,5-6,8H2
InChIKeyJFFPSSGIKSUJHU-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.73
Rot. Bonds1

About 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline

6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline (PubChem CID 163351362) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline.

Molecular Properties

Compound Name6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
PubChem CID163351362
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC Name6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
SMILESFC1(F)CCN(c2ccc3cc(Cl)ccc3n2)C1
InChIInChI=1S/C13H11ClF2N2/c14-10-2-3-11-9(7-10)1-4-12(17-11)18-6-5-13(15,16)8-18/h1-4,7H,5-6,8H2
InChIKeyJFFPSSGIKSUJHU-UHFFFAOYSA-N
XLogP3.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline?
The IUPAC name of 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline (CID 163351362) is 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline.
What is the SMILES notation for 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline?
The canonical SMILES for 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline is FC1(F)CCN(c2ccc3cc(Cl)ccc3n2)C1.
What is the InChIKey of 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline?
The InChIKey is JFFPSSGIKSUJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c14-10-2-3-11-9(7-10)1-4-12(17-11)18-6-5-13(15,16)8-18/h1-4,7H,5-6,8H2.
What are the key properties of 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline?
6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline has a molecular weight of 268.69 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline is sourced from PubChem (CID 163351362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).