(1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone

C11H17F2NO2 — CID 160732165

IUPAC(1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone
SMILESCCC1(C(=O)N2CCOCC2)CC(F)(F)C1
InChIInChI=1S/C11H17F2NO2/c1-2-10(7-11(12,13)8-10)9(15)14-3-5-16-6-4-14/h2-8H2,1H3
InChIKeyRUMHFZXQBPCAMX-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.67
Rot. Bonds2

About (1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone

(1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone (PubChem CID 160732165) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is (1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone
PubChem CID160732165
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name(1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone
SMILESCCC1(C(=O)N2CCOCC2)CC(F)(F)C1
InChIInChI=1S/C11H17F2NO2/c1-2-10(7-11(12,13)8-10)9(15)14-3-5-16-6-4-14/h2-8H2,1H3
InChIKeyRUMHFZXQBPCAMX-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone?
The IUPAC name of (1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone (CID 160732165) is (1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone is CCC1(C(=O)N2CCOCC2)CC(F)(F)C1.
What is the InChIKey of (1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone?
The InChIKey is RUMHFZXQBPCAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-2-10(7-11(12,13)8-10)9(15)14-3-5-16-6-4-14/h2-8H2,1H3.
What are the key properties of (1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone?
(1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone has a molecular weight of 233.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 160732165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).