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

C6H10ClF2NO — CID 131664471

IUPAC7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC1(F)COC2(CNC2)C1
InChIInChI=1S/C6H9F2NO.ClH/c7-6(8)1-5(10-4-6)2-9-3-5;/h9H,1-4H2;1H
InChIKeyYDHOSZOZRPOIOP-UHFFFAOYSA-N
MW185.60 g/mol
LogP0.81
Rot. Bonds

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

7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride (PubChem CID 131664471) has the molecular formula C6H10ClF2NO and a molecular weight of 185.60 g/mol. Its IUPAC name is 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride.

Molecular Properties

Compound Name7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride
PubChem CID131664471
Molecular FormulaC6H10ClF2NO
Molecular Weight185.60 g/mol
Exact Mass185.04
IUPAC Name7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC1(F)COC2(CNC2)C1
InChIInChI=1S/C6H9F2NO.ClH/c7-6(8)1-5(10-4-6)2-9-3-5;/h9H,1-4H2;1H
InChIKeyYDHOSZOZRPOIOP-UHFFFAOYSA-N
XLogP0.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.60
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride?
The IUPAC name of 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride (CID 131664471) is 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride.
What is the SMILES notation for 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride?
The canonical SMILES for 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride is Cl.FC1(F)COC2(CNC2)C1.
What is the InChIKey of 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride?
The InChIKey is YDHOSZOZRPOIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO.ClH/c7-6(8)1-5(10-4-6)2-9-3-5;/h9H,1-4H2;1H.
What are the key properties of 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride?
7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride has a molecular weight of 185.60 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride is sourced from PubChem (CID 131664471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).