(2,6-difluorophenyl)-pyrrolidin-1-ylmethanone

C11H11F2NO — CID 588246

IUPAC(2,6-difluorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1c(F)cccc1F)N1CCCC1
InChIInChI=1S/C11H11F2NO/c12-8-4-3-5-9(13)10(8)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2
InChIKeyWKDBMZQECSVNDS-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.20
Rot. Bonds1

About (2,6-difluorophenyl)-pyrrolidin-1-ylmethanone

(2,6-difluorophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 588246) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is (2,6-difluorophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-pyrrolidin-1-ylmethanone
PubChem CID588246
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name(2,6-difluorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1c(F)cccc1F)N1CCCC1
InChIInChI=1S/C11H11F2NO/c12-8-4-3-5-9(13)10(8)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2
InChIKeyWKDBMZQECSVNDS-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2,6-difluorophenyl)-pyrrolidin-1-ylmethanone (CID 588246) is (2,6-difluorophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2,6-difluorophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2,6-difluorophenyl)-pyrrolidin-1-ylmethanone is O=C(c1c(F)cccc1F)N1CCCC1.
What is the InChIKey of (2,6-difluorophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is WKDBMZQECSVNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c12-8-4-3-5-9(13)10(8)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2.
What are the key properties of (2,6-difluorophenyl)-pyrrolidin-1-ylmethanone?
(2,6-difluorophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 211.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 588246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).