7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride

C6H10ClF2N — CID 155896929

IUPAC7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride
SMILESCl.FC1(F)CCC12CCN2
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)2-1-5(6)3-4-9-5;/h9H,1-4H2;1H
InChIKeyDVYTUOIAZWYCNY-UHFFFAOYSA-N
MW169.60 g/mol
LogP1.57
Rot. Bonds

About 7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride

7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride (PubChem CID 155896929) has the molecular formula C6H10ClF2N and a molecular weight of 169.60 g/mol. Its IUPAC name is 7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride.

Molecular Properties

Compound Name7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride
PubChem CID155896929
Molecular FormulaC6H10ClF2N
Molecular Weight169.60 g/mol
Exact Mass169.05
IUPAC Name7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride
SMILESCl.FC1(F)CCC12CCN2
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)2-1-5(6)3-4-9-5;/h9H,1-4H2;1H
InChIKeyDVYTUOIAZWYCNY-UHFFFAOYSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.60
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 83856346
4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide
CID 115034951
5,5-difluoro-1-azaspiro[5.6]dodecane
CID 155973408
2,2-difluoroazetidine
CID 68750416
3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride
CID 115013960
tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride
CID 115053505
6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane
CID 170907246
2-bromo-2-fluoro-4-azaspiro[2.4]heptane
CID 146598189
3,3-difluoro-2,2-dimethylpiperidine;hydrochloride
CID 115017011
7-thia-12-azadispiro[2.0.54.33]dodecane
CID 105440879
2-tert-butyl-3,3-difluoro-2-methylpyrrolidine
CID 83855284
3,3-difluoro-1,8-diazaspiro[3.5]nonane
CID 88978072

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride?
The IUPAC name of 7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride (CID 155896929) is 7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride.
What is the SMILES notation for 7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride?
The canonical SMILES for 7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride is Cl.FC1(F)CCC12CCN2.
What is the InChIKey of 7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride?
The InChIKey is DVYTUOIAZWYCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N.ClH/c7-6(8)2-1-5(6)3-4-9-5;/h9H,1-4H2;1H.
What are the key properties of 7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride?
7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride has a molecular weight of 169.60 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride is sourced from PubChem (CID 155896929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).