2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one

C9H13F4NO2 — CID 103733939

IUPAC2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCOCC1CCN(C(=O)C(F)(F)C(F)F)C1
InChIInChI=1S/C9H13F4NO2/c1-16-5-6-2-3-14(4-6)8(15)9(12,13)7(10)11/h6-7H,2-5H2,1H3
InChIKeyQZGUHWHATLVOTO-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.38
Rot. Bonds4

About 2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one

2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 103733939) has the molecular formula C9H13F4NO2 and a molecular weight of 243.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID103733939
Molecular FormulaC9H13F4NO2
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC Name2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCOCC1CCN(C(=O)C(F)(F)C(F)F)C1
InChIInChI=1S/C9H13F4NO2/c1-16-5-6-2-3-14(4-6)8(15)9(12,13)7(10)11/h6-7H,2-5H2,1H3
InChIKeyQZGUHWHATLVOTO-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one (CID 103733939) is 2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one is COCC1CCN(C(=O)C(F)(F)C(F)F)C1.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is QZGUHWHATLVOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO2/c1-16-5-6-2-3-14(4-6)8(15)9(12,13)7(10)11/h6-7H,2-5H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one?
2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 243.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 103733939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).