(3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

C12H19F2NO2 — CID 114189112

IUPAC(3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)C1)N1CCCC1CCO
InChIInChI=1S/C12H19F2NO2/c13-12(14)5-3-9(8-12)11(17)15-6-1-2-10(15)4-7-16/h9-10,16H,1-8H2
InChIKeySEVXBMBXUVFNKC-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.80
Rot. Bonds3

About (3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

(3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 114189112) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID114189112
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Name(3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)C1)N1CCCC1CCO
InChIInChI=1S/C12H19F2NO2/c13-12(14)5-3-9(8-12)11(17)15-6-1-2-10(15)4-7-16/h9-10,16H,1-8H2
InChIKeySEVXBMBXUVFNKC-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 114189112) is (3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is O=C(C1CCC(F)(F)C1)N1CCCC1CCO.
What is the InChIKey of (3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SEVXBMBXUVFNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2/c13-12(14)5-3-9(8-12)11(17)15-6-1-2-10(15)4-7-16/h9-10,16H,1-8H2.
What are the key properties of (3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
(3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 247.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 114189112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).