1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride

C7H10ClF4N — CID 122163593

IUPAC1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride
SMILESCl.FC1(F)C(F)(F)C12CCNCC2
InChIInChI=1S/C7H9F4N.ClH/c8-6(9)5(7(6,10)11)1-3-12-4-2-5;/h12H,1-4H2;1H
InChIKeyYKVQMGBTQSMAJC-UHFFFAOYSA-N
MW219.61 g/mol
LogP2.06
Rot. Bonds

About 1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride

1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride (PubChem CID 122163593) has the molecular formula C7H10ClF4N and a molecular weight of 219.61 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride
PubChem CID122163593
Molecular FormulaC7H10ClF4N
Molecular Weight219.61 g/mol
Exact Mass219.04
IUPAC Name1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride
SMILESCl.FC1(F)C(F)(F)C12CCNCC2
InChIInChI=1S/C7H9F4N.ClH/c8-6(9)5(7(6,10)11)1-3-12-4-2-5;/h12H,1-4H2;1H
InChIKeyYKVQMGBTQSMAJC-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.61
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 146049851
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CID 143607085
3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride
CID 159412797
ethane;4-fluoro-4-methylpiperidine
CID 142139578
9-azadispiro[2.2.56.23]tridecane;hydrochloride
CID 155487193
7,7-difluoro-1,6-dimethyl-3-azabicyclo[4.1.0]heptane;hydrochloride
CID 146049859
4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride
CID 157040671
(4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride
CID 74890104
2,2-difluoro-1-methyl-6-azaspiro[2.5]octane
CID 121209308
4,4-difluoropiperidine;trichloro(deuterio)methane
CID 158251836
11,11-difluoro-3-azaspiro[5.5]undecane
CID 135392962
4-fluoro-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67540826

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride?
The IUPAC name of 1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride (CID 122163593) is 1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride?
The canonical SMILES for 1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride is Cl.FC1(F)C(F)(F)C12CCNCC2.
What is the InChIKey of 1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride?
The InChIKey is YKVQMGBTQSMAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N.ClH/c8-6(9)5(7(6,10)11)1-3-12-4-2-5;/h12H,1-4H2;1H.
What are the key properties of 1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride?
1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride has a molecular weight of 219.61 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-6-azaspiro[2.5]octane;hydrochloride is sourced from PubChem (CID 122163593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).