7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane

C8H14FNO — CID 172583131

IUPAC7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane
SMILESCN1CC2(C1)CC(C)(F)CO2
InChIInChI=1S/C8H14FNO/c1-7(9)3-8(11-6-7)4-10(2)5-8/h3-6H2,1-2H3
InChIKeyHXBGHPGXRVUVCG-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.82
Rot. Bonds

About 7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane

7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 172583131) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane
PubChem CID172583131
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane
SMILESCN1CC2(C1)CC(C)(F)CO2
InChIInChI=1S/C8H14FNO/c1-7(9)3-8(11-6-7)4-10(2)5-8/h3-6H2,1-2H3
InChIKeyHXBGHPGXRVUVCG-UHFFFAOYSA-N
XLogP0.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Fluoro-5-oxa-2-azaspiro[3.4]octane
CID 55280737
(7S)-7-fluoro-5-oxa-2-azaspiro[3.4]octane
CID 146272697
(7R)-7-fluoro-5-oxa-2-azaspiro[3.4]octane
CID 146272785
7,7-Difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
CID 157033147
(8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane
CID 166567470
(8S)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane
CID 166567483
(8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
CID 167292236
(8R)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
CID 167292238
2-Tert-butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane
CID 172122553
7,7-Difluoro-2-methyl-5-oxa-2-azaspiro[3.4]octane
CID 172360134
2-Butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane
CID 176923228
2-Butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane
CID 176924994

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane (CID 172583131) is 7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane is CN1CC2(C1)CC(C)(F)CO2.
What is the InChIKey of 7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is HXBGHPGXRVUVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-7(9)3-8(11-6-7)4-10(2)5-8/h3-6H2,1-2H3.
What are the key properties of 7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane?
7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 159.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 172583131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).