2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one

C12H16F4N2O3 — CID 103733580

IUPAC2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(C1CCCN1C(=O)C(F)(F)C(F)F)N1CCOCC1
InChIInChI=1S/C12H16F4N2O3/c13-10(14)12(15,16)11(20)18-3-1-2-8(18)9(19)17-4-6-21-7-5-17/h8,10H,1-7H2
InChIKeyRFXBNVMVKVOWLN-UHFFFAOYSA-N
MW312.26 g/mol
LogP0.74
Rot. Bonds3

About 2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one

2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 103733580) has the molecular formula C12H16F4N2O3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
PubChem CID103733580
Molecular FormulaC12H16F4N2O3
Molecular Weight312.26 g/mol
Exact Mass312.11
IUPAC Name2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(C1CCCN1C(=O)C(F)(F)C(F)F)N1CCOCC1
InChIInChI=1S/C12H16F4N2O3/c13-10(14)12(15,16)11(20)18-3-1-2-8(18)9(19)17-4-6-21-7-5-17/h8,10H,1-7H2
InChIKeyRFXBNVMVKVOWLN-UHFFFAOYSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (CID 103733580) is 2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one is O=C(C1CCCN1C(=O)C(F)(F)C(F)F)N1CCOCC1.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is RFXBNVMVKVOWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O3/c13-10(14)12(15,16)11(20)18-3-1-2-8(18)9(19)17-4-6-21-7-5-17/h8,10H,1-7H2.
What are the key properties of 2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 312.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 103733580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).