3,3-difluoro-2,2-dimethylpiperidine;hydrochloride

C7H14ClF2N — CID 115017011

IUPAC3,3-difluoro-2,2-dimethylpiperidine;hydrochloride
SMILESCC1(C)NCCCC1(F)F.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-6(2)7(8,9)4-3-5-10-6;/h10H,3-5H2,1-2H3;1H
InChIKeyIAYARRABDLLFBX-UHFFFAOYSA-N
MW185.64 g/mol
LogP2.21
Rot. Bonds

About 3,3-difluoro-2,2-dimethylpiperidine;hydrochloride

3,3-difluoro-2,2-dimethylpiperidine;hydrochloride (PubChem CID 115017011) has the molecular formula C7H14ClF2N and a molecular weight of 185.64 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethylpiperidine;hydrochloride
PubChem CID115017011
Molecular FormulaC7H14ClF2N
Molecular Weight185.64 g/mol
Exact Mass185.08
IUPAC Name3,3-difluoro-2,2-dimethylpiperidine;hydrochloride
SMILESCC1(C)NCCCC1(F)F.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-6(2)7(8,9)4-3-5-10-6;/h10H,3-5H2,1-2H3;1H
InChIKeyIAYARRABDLLFBX-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 115013960
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CID 71341029
5,5-difluoro-1-azaspiro[5.6]dodecane
CID 155973408
3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride
CID 115048909
2,2-difluoro-5-azaspiro[3.4]octane;hydrochloride
CID 167728068
3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride
CID 115049370
2-tert-butyl-2-methylpyrrolidine;hydrochloride
CID 115015040
(2R)-2-methylpyrrolidin-2-ol
CID 146841570
2-methylpyrrolidin-2-amine
CID 22046316
2-methylpyrrolidine-2-carbaldehyde;hydrochloride
CID 175842534
3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine
CID 115037049
2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride
CID 122240376

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethylpiperidine;hydrochloride?
The IUPAC name of 3,3-difluoro-2,2-dimethylpiperidine;hydrochloride (CID 115017011) is 3,3-difluoro-2,2-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-2,2-dimethylpiperidine;hydrochloride?
The canonical SMILES for 3,3-difluoro-2,2-dimethylpiperidine;hydrochloride is CC1(C)NCCCC1(F)F.Cl.
What is the InChIKey of 3,3-difluoro-2,2-dimethylpiperidine;hydrochloride?
The InChIKey is IAYARRABDLLFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.ClH/c1-6(2)7(8,9)4-3-5-10-6;/h10H,3-5H2,1-2H3;1H.
What are the key properties of 3,3-difluoro-2,2-dimethylpiperidine;hydrochloride?
3,3-difluoro-2,2-dimethylpiperidine;hydrochloride has a molecular weight of 185.64 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 115017011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).