8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene

C10H16FNO — CID 170219147

IUPAC8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCC(C)(F)CC2)C1
InChIInChI=1S/C10H16FNO/c1-8-7-10(13-12-8)5-3-9(2,11)4-6-10/h3-7H2,1-2H3
InChIKeyQNJKHNKLJUUNKD-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.82
Rot. Bonds

About 8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene

8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene (PubChem CID 170219147) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
PubChem CID170219147
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCC(C)(F)CC2)C1
InChIInChI=1S/C10H16FNO/c1-8-7-10(13-12-8)5-3-9(2,11)4-6-10/h3-7H2,1-2H3
InChIKeyQNJKHNKLJUUNKD-UHFFFAOYSA-N
XLogP2.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene (CID 170219147) is 8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene is CC1=NOC2(CCC(C)(F)CC2)C1.
What is the InChIKey of 8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The InChIKey is QNJKHNKLJUUNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-8-7-10(13-12-8)5-3-9(2,11)4-6-10/h3-7H2,1-2H3.
What are the key properties of 8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene has a molecular weight of 185.24 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,8-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 170219147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).