3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one

C14H23F2NO3 — CID 103209222

IUPAC3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCOCC(F)F)N1CCCC1C1CCCC1O
InChIInChI=1S/C14H23F2NO3/c15-13(16)9-20-8-6-14(19)17-7-2-4-11(17)10-3-1-5-12(10)18/h10-13,18H,1-9H2
InChIKeyXSZJBVMSEXLXDR-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.81
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one

3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 103209222) has the molecular formula C14H23F2NO3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one
PubChem CID103209222
Molecular FormulaC14H23F2NO3
Molecular Weight291.34 g/mol
Exact Mass291.16
IUPAC Name3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCOCC(F)F)N1CCCC1C1CCCC1O
InChIInChI=1S/C14H23F2NO3/c15-13(16)9-20-8-6-14(19)17-7-2-4-11(17)10-3-1-5-12(10)18/h10-13,18H,1-9H2
InChIKeyXSZJBVMSEXLXDR-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one (CID 103209222) is 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one is O=C(CCOCC(F)F)N1CCCC1C1CCCC1O.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is XSZJBVMSEXLXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO3/c15-13(16)9-20-8-6-14(19)17-7-2-4-11(17)10-3-1-5-12(10)18/h10-13,18H,1-9H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one?
3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 291.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 103209222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).