2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone

C9H15F2NO2 — CID 103513909

IUPAC2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
SMILESO=C(C(F)F)N1CCCC1CCCO
InChIInChI=1S/C9H15F2NO2/c10-8(11)9(14)12-5-1-3-7(12)4-2-6-13/h7-8,13H,1-6H2
InChIKeyVHEIHCGJDKHXSY-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.01
Rot. Bonds4

About 2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone

2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone (PubChem CID 103513909) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
PubChem CID103513909
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
SMILESO=C(C(F)F)N1CCCC1CCCO
InChIInChI=1S/C9H15F2NO2/c10-8(11)9(14)12-5-1-3-7(12)4-2-6-13/h7-8,13H,1-6H2
InChIKeyVHEIHCGJDKHXSY-UHFFFAOYSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone (CID 103513909) is 2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone is O=C(C(F)F)N1CCCC1CCCO.
What is the InChIKey of 2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The InChIKey is VHEIHCGJDKHXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-8(11)9(14)12-5-1-3-7(12)4-2-6-13/h7-8,13H,1-6H2.
What are the key properties of 2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone?
2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone has a molecular weight of 207.22 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 103513909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).