3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride

C8H14ClF2NO — CID 131664472

IUPAC3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride
SMILESCl.FC1(F)COC2(CCNCC2)C1
InChIInChI=1S/C8H13F2NO.ClH/c9-8(10)5-7(12-6-8)1-3-11-4-2-7;/h11H,1-6H2;1H
InChIKeyFQPMZHSTXRSJLH-UHFFFAOYSA-N
MW213.65 g/mol
LogP1.59
Rot. Bonds

About 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride

3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride (PubChem CID 131664472) has the molecular formula C8H14ClF2NO and a molecular weight of 213.65 g/mol. Its IUPAC name is 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride
PubChem CID131664472
Molecular FormulaC8H14ClF2NO
Molecular Weight213.65 g/mol
Exact Mass213.07
IUPAC Name3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride
SMILESCl.FC1(F)COC2(CCNCC2)C1
InChIInChI=1S/C8H13F2NO.ClH/c9-8(10)5-7(12-6-8)1-3-11-4-2-7;/h11H,1-6H2;1H
InChIKeyFQPMZHSTXRSJLH-UHFFFAOYSA-N
XLogP1.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.65
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride?
The IUPAC name of 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride (CID 131664472) is 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride is Cl.FC1(F)COC2(CCNCC2)C1.
What is the InChIKey of 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride?
The InChIKey is FQPMZHSTXRSJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO.ClH/c9-8(10)5-7(12-6-8)1-3-11-4-2-7;/h11H,1-6H2;1H.
What are the key properties of 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride?
3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride has a molecular weight of 213.65 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 131664472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).