3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride

C6H12ClF2N — CID 115013960

IUPAC3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride
SMILESCC1(C)NCCC1(F)F.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-5(2)6(7,8)3-4-9-5;/h9H,3-4H2,1-2H3;1H
InChIKeyVHNAKNWOUDYKFS-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.82
Rot. Bonds

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

3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride (PubChem CID 115013960) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride
PubChem CID115013960
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride
SMILESCC1(C)NCCC1(F)F.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-5(2)6(7,8)3-4-9-5;/h9H,3-4H2,1-2H3;1H
InChIKeyVHNAKNWOUDYKFS-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.62
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-2,2-dimethylpiperidine;hydrochloride
CID 115017011
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7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride
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4,4-difluoro-1-azaspiro[4.4]nonane
CID 83856346
1,1-dimethyl-2-azaspiro[4.7]dodecane
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2,2,3,3,9,9,10,10-octamethyl-1,4,8,11-tetrazacyclotetradecane
CID 71341029
3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine
CID 62354191
1,1,8-trimethyl-2-azaspiro[4.5]decane
CID 62352815
1-fluoro-1-methylcyclopropane
CID 18684623
ethane;4-fluoro-4-methylpiperidine
CID 142139578
4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide
CID 115034951

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride?
The IUPAC name of 3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride (CID 115013960) is 3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride?
The canonical SMILES for 3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride is CC1(C)NCCC1(F)F.Cl.
What is the InChIKey of 3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride?
The InChIKey is VHNAKNWOUDYKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c1-5(2)6(7,8)3-4-9-5;/h9H,3-4H2,1-2H3;1H.
What are the key properties of 3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride?
3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.82, 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-dimethylpyrrolidine;hydrochloride is sourced from PubChem (CID 115013960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).