3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane

C7H10F3NO — CID 155262776

IUPAC3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane
SMILESFC(F)(F)C1COC12CCNC2
InChIInChI=1S/C7H10F3NO/c8-7(9,10)5-3-12-6(5)1-2-11-4-6/h5,11H,1-4H2
InChIKeySNAKOXQBFWMQGP-UHFFFAOYSA-N
MW181.16 g/mol
LogP0.93
Rot. Bonds

About 3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane

3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane (PubChem CID 155262776) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane
PubChem CID155262776
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane
SMILESFC(F)(F)C1COC12CCNC2
InChIInChI=1S/C7H10F3NO/c8-7(9,10)5-3-12-6(5)1-2-11-4-6/h5,11H,1-4H2
InChIKeySNAKOXQBFWMQGP-UHFFFAOYSA-N
XLogP0.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane (CID 155262776) is 3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane is FC(F)(F)C1COC12CCNC2.
What is the InChIKey of 3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane?
The InChIKey is SNAKOXQBFWMQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)5-3-12-6(5)1-2-11-4-6/h5,11H,1-4H2.
What are the key properties of 3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane?
3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane has a molecular weight of 181.16 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 155262776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).