8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride

C9H14ClF3O — CID 158541860

IUPAC8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride
SMILESCl.FC(F)(F)C1CCOC2(CCC2)C1
InChIInChI=1S/C9H13F3O.ClH/c10-9(11,12)7-2-5-13-8(6-7)3-1-4-8;/h7H,1-6H2;1H
InChIKeyJHSZZWXDYAEODY-UHFFFAOYSA-N
MW230.66 g/mol
LogP3.32
Rot. Bonds

About 8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride

8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride (PubChem CID 158541860) has the molecular formula C9H14ClF3O and a molecular weight of 230.66 g/mol. Its IUPAC name is 8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride.

Molecular Properties

Compound Name8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride
PubChem CID158541860
Molecular FormulaC9H14ClF3O
Molecular Weight230.66 g/mol
Exact Mass230.07
IUPAC Name8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride
SMILESCl.FC(F)(F)C1CCOC2(CCC2)C1
InChIInChI=1S/C9H13F3O.ClH/c10-9(11,12)7-2-5-13-8(6-7)3-1-4-8;/h7H,1-6H2;1H
InChIKeyJHSZZWXDYAEODY-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride?
The IUPAC name of 8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride (CID 158541860) is 8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride.
What is the SMILES notation for 8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride?
The canonical SMILES for 8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride is Cl.FC(F)(F)C1CCOC2(CCC2)C1.
What is the InChIKey of 8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride?
The InChIKey is JHSZZWXDYAEODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O.ClH/c10-9(11,12)7-2-5-13-8(6-7)3-1-4-8;/h7H,1-6H2;1H.
What are the key properties of 8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride?
8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride has a molecular weight of 230.66 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-5-oxaspiro[3.5]nonane;hydrochloride is sourced from PubChem (CID 158541860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).