3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride

C12H15ClF3N — CID 115049370

IUPAC3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride
SMILESCC1(c2cccc(F)c2)NCCCC1(F)F.Cl
InChIInChI=1S/C12H14F3N.ClH/c1-11(9-4-2-5-10(13)8-9)12(14,15)6-3-7-16-11;/h2,4-5,8,16H,3,6-7H2,1H3;1H
InChIKeyYBLXQCQYSCWYCF-UHFFFAOYSA-N
MW265.71 g/mol
LogP3.48
Rot. Bonds1

About 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride

3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride (PubChem CID 115049370) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride
PubChem CID115049370
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride
SMILESCC1(c2cccc(F)c2)NCCCC1(F)F.Cl
InChIInChI=1S/C12H14F3N.ClH/c1-11(9-4-2-5-10(13)8-9)12(14,15)6-3-7-16-11;/h2,4-5,8,16H,3,6-7H2,1H3;1H
InChIKeyYBLXQCQYSCWYCF-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine
CID 115037049
3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine
CID 115035973
3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride
CID 115048909
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 70487750
2-(3-fluorophenyl)-2-methyl-1,3-oxazolidine;hydrochloride
CID 117227522
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
2-[2-(3-fluorophenyl)piperidin-2-yl]ethanamine
CID 115059371
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827
2-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine
CID 117271498
4-fluoro-2-(3-fluorophenyl)-2-methylpiperidine
CID 115027328
4-(3-fluorophenyl)-4-methoxypiperidine
CID 105463022

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride?
The IUPAC name of 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride (CID 115049370) is 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride?
The canonical SMILES for 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride is CC1(c2cccc(F)c2)NCCCC1(F)F.Cl.
What is the InChIKey of 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride?
The InChIKey is YBLXQCQYSCWYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N.ClH/c1-11(9-4-2-5-10(13)8-9)12(14,15)6-3-7-16-11;/h2,4-5,8,16H,3,6-7H2,1H3;1H.
What are the key properties of 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride?
3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride has a molecular weight of 265.71 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride is sourced from PubChem (CID 115049370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).