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

C12H14F3N — CID 115037049

IUPAC3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine
SMILESCC1(c2cccc(F)c2)NCCCC1(F)F
InChIInChI=1S/C12H14F3N/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
InChIKeySYBAPSKHRUMMDR-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.06
Rot. Bonds1

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

3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine (PubChem CID 115037049) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine
PubChem CID115037049
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine
SMILESCC1(c2cccc(F)c2)NCCCC1(F)F
InChIInChI=1S/C12H14F3N/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
InChIKeySYBAPSKHRUMMDR-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride
CID 115049370
3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine
CID 115035973
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 70487750
3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride
CID 115048909
2-(3-fluorophenyl)-2-methyl-1,3-oxazolidine;hydrochloride
CID 117227522
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
7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonane
CID 155982652

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine?
The IUPAC name of 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine (CID 115037049) is 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine.
What is the SMILES notation for 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine?
The canonical SMILES for 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine is CC1(c2cccc(F)c2)NCCCC1(F)F.
What is the InChIKey of 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine?
The InChIKey is SYBAPSKHRUMMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/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.
What are the key properties of 3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine?
3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine has a molecular weight of 229.25 g/mol, XLogP of 3.06, 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 is sourced from PubChem (CID 115037049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).