2-(1,1-difluoro-2-methylpropyl)piperidine

C9H17F2N — CID 83855167

IUPAC2-(1,1-difluoro-2-methylpropyl)piperidine
SMILESCC(C)C(F)(F)C1CCCCN1
InChIInChI=1S/C9H17F2N/c1-7(2)9(10,11)8-5-3-4-6-12-8/h7-8,12H,3-6H2,1-2H3
InChIKeyLBXAJCISTGFJBB-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.42
Rot. Bonds2

About 2-(1,1-difluoro-2-methylpropyl)piperidine

2-(1,1-difluoro-2-methylpropyl)piperidine (PubChem CID 83855167) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-methylpropyl)piperidine.

Molecular Properties

Compound Name2-(1,1-difluoro-2-methylpropyl)piperidine
PubChem CID83855167
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name2-(1,1-difluoro-2-methylpropyl)piperidine
SMILESCC(C)C(F)(F)C1CCCCN1
InChIInChI=1S/C9H17F2N/c1-7(2)9(10,11)8-5-3-4-6-12-8/h7-8,12H,3-6H2,1-2H3
InChIKeyLBXAJCISTGFJBB-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(trifluoromethyl)piperidine;hydrochloride
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(2S)-2-(trifluoromethyl)azepane
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2-(1-cyclopentyl-1-fluoroethyl)piperidine
CID 105452461
2-piperidin-2-ylpropan-2-amine
CID 55284786
2-tert-butylpyrrolidine;2-methylpropane
CID 143359861
2-(2-fluoro-3-methylpentan-2-yl)pyrrolidine
CID 131015142
(2R)-3-methyl-2-[(2S)-pyrrolidin-2-yl]butan-2-ol
CID 138485633
(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride
CID 171195598
2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride
CID 69457238
2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566608
2-(2-methylbutan-2-yl)piperidine
CID 118553273
2-(1-fluoro-1-piperidin-3-ylethyl)piperidine
CID 112565009

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-methylpropyl)piperidine?
The IUPAC name of 2-(1,1-difluoro-2-methylpropyl)piperidine (CID 83855167) is 2-(1,1-difluoro-2-methylpropyl)piperidine.
What is the SMILES notation for 2-(1,1-difluoro-2-methylpropyl)piperidine?
The canonical SMILES for 2-(1,1-difluoro-2-methylpropyl)piperidine is CC(C)C(F)(F)C1CCCCN1.
What is the InChIKey of 2-(1,1-difluoro-2-methylpropyl)piperidine?
The InChIKey is LBXAJCISTGFJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)9(10,11)8-5-3-4-6-12-8/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 2-(1,1-difluoro-2-methylpropyl)piperidine?
2-(1,1-difluoro-2-methylpropyl)piperidine has a molecular weight of 177.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-methylpropyl)piperidine is sourced from PubChem (CID 83855167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).