2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane

C12H23F2NO — CID 176924994

IUPAC2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane
SMILESCC.CCCCN1CC2(C1)CC(F)(F)CO2
InChIInChI=1S/C10H17F2NO.C2H6/c1-2-3-4-13-6-9(7-13)5-10(11,12)8-14-9;1-2/h2-8H2,1H3;1-2H3
InChIKeyFZHYDJZLAGGDKH-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.92
Rot. Bonds3

About 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane

2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane (PubChem CID 176924994) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane.

Molecular Properties

Compound Name2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane
PubChem CID176924994
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane
SMILESCC.CCCCN1CC2(C1)CC(F)(F)CO2
InChIInChI=1S/C10H17F2NO.C2H6/c1-2-3-4-13-6-9(7-13)5-10(11,12)8-14-9;1-2/h2-8H2,1H3;1-2H3
InChIKeyFZHYDJZLAGGDKH-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 140929377
(2R)-1-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 140929469
(2R)-4,4-difluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 141637856
(2S)-4,4-difluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 141637993
(4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 146652242
(2S)-1-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 146652770
1-(2,2-Difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 146652775
4,4-Difluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 153500953
4-Fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 153500964
7,7-Difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
CID 157033147
(2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 159739796
(8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane
CID 166567470

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane?
The IUPAC name of 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane (CID 176924994) is 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane.
What is the SMILES notation for 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane?
The canonical SMILES for 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane is CC.CCCCN1CC2(C1)CC(F)(F)CO2.
What is the InChIKey of 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane?
The InChIKey is FZHYDJZLAGGDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO.C2H6/c1-2-3-4-13-6-9(7-13)5-10(11,12)8-14-9;1-2/h2-8H2,1H3;1-2H3.
What are the key properties of 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane?
2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane has a molecular weight of 235.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane is sourced from PubChem (CID 176924994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).