3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride

C8H15ClF4N2 — CID 159412797

IUPAC3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride
SMILESCl.FC1(F)CCNCC1.FC1(F)CNC1
InChIInChI=1S/C5H9F2N.C3H5F2N.ClH/c6-5(7)1-3-8-4-2-5;4-3(5)1-6-2-3;/h8H,1-4H2;6H,1-2H2;1H
InChIKeyVSAKRPIYEVUYLW-UHFFFAOYSA-N
MW250.67 g/mol
LogP1.65
Rot. Bonds

About 3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride

3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride (PubChem CID 159412797) has the molecular formula C8H15ClF4N2 and a molecular weight of 250.67 g/mol. Its IUPAC name is 3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride
PubChem CID159412797
Molecular FormulaC8H15ClF4N2
Molecular Weight250.67 g/mol
Exact Mass250.09
IUPAC Name3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride
SMILESCl.FC1(F)CCNCC1.FC1(F)CNC1
InChIInChI=1S/C5H9F2N.C3H5F2N.ClH/c6-5(7)1-3-8-4-2-5;4-3(5)1-6-2-3;/h8H,1-4H2;6H,1-2H2;1H
InChIKeyVSAKRPIYEVUYLW-UHFFFAOYSA-N
XLogP1.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.67
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3,3-difluoroazepane;hydrochloride
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9,9-difluoro-2,6-diazaspiro[4.5]decane
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3,3-difluoroazepane;ethane
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2,2-difluoro-8-azadispiro[3.1.36.14]decane;hydrochloride
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ethane;4-fluoro-4-methylpiperidine
CID 142139578
2,2-difluoro-6-azaspiro[3.5]nonane;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride?
The IUPAC name of 3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride (CID 159412797) is 3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride.
What is the SMILES notation for 3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride?
The canonical SMILES for 3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride is Cl.FC1(F)CCNCC1.FC1(F)CNC1.
What is the InChIKey of 3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride?
The InChIKey is VSAKRPIYEVUYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.C3H5F2N.ClH/c6-5(7)1-3-8-4-2-5;4-3(5)1-6-2-3;/h8H,1-4H2;6H,1-2H2;1H.
What are the key properties of 3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride?
3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride has a molecular weight of 250.67 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride is sourced from PubChem (CID 159412797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).