(3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane

C13H21F2NO2 — CID 142295206

IUPAC(3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane
SMILESCC.CC1(C(=O)N2CC3(COC3)C2)CC(F)(F)C1
InChIInChI=1S/C11H15F2NO2.C2H6/c1-9(2-11(12,13)3-9)8(15)14-4-10(5-14)6-16-7-10;1-2/h2-7H2,1H3;1-2H3
InChIKeyIKCWXHYIQBMZNQ-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.31
Rot. Bonds1

About (3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane

(3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane (PubChem CID 142295206) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is (3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane.

Molecular Properties

Compound Name(3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane
PubChem CID142295206
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name(3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane
SMILESCC.CC1(C(=O)N2CC3(COC3)C2)CC(F)(F)C1
InChIInChI=1S/C11H15F2NO2.C2H6/c1-9(2-11(12,13)3-9)8(15)14-4-10(5-14)6-16-7-10;1-2/h2-7H2,1H3;1-2H3
InChIKeyIKCWXHYIQBMZNQ-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane?
The IUPAC name of (3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane (CID 142295206) is (3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane.
What is the SMILES notation for (3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane?
The canonical SMILES for (3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane is CC.CC1(C(=O)N2CC3(COC3)C2)CC(F)(F)C1.
What is the InChIKey of (3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane?
The InChIKey is IKCWXHYIQBMZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2.C2H6/c1-9(2-11(12,13)3-9)8(15)14-4-10(5-14)6-16-7-10;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of (3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane?
(3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane has a molecular weight of 261.31 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane is sourced from PubChem (CID 142295206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).