(3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone

C10H17FN2O2 — CID 126790871

IUPAC(3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone
SMILESCC1(F)CCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C10H17FN2O2/c1-10(11)2-3-13(8-10)9(14)12-4-6-15-7-5-12/h2-8H2,1H3
InChIKeyUTOFQYFCVGHHJS-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.87
Rot. Bonds

About (3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone

(3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone (PubChem CID 126790871) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is (3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone
PubChem CID126790871
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name(3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone
SMILESCC1(F)CCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C10H17FN2O2/c1-10(11)2-3-13(8-10)9(14)12-4-6-15-7-5-12/h2-8H2,1H3
InChIKeyUTOFQYFCVGHHJS-UHFFFAOYSA-N
XLogP0.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone (CID 126790871) is (3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone is CC1(F)CCN(C(=O)N2CCOCC2)C1.
What is the InChIKey of (3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone?
The InChIKey is UTOFQYFCVGHHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O2/c1-10(11)2-3-13(8-10)9(14)12-4-6-15-7-5-12/h2-8H2,1H3.
What are the key properties of (3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone?
(3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone has a molecular weight of 216.26 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3-methylpyrrolidin-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 126790871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).