(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride

C8H11ClF7N — CID 171195598

IUPAC(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)C(F)(F)C(F)(F)[C@H]1CCCCN1
InChIInChI=1S/C8H10F7N.ClH/c9-6(10,5-3-1-2-4-16-5)7(11,12)8(13,14)15;/h5,16H,1-4H2;1H/t5-;/m1./s1
InChIKeyFQPHHKQIBFHHSC-NUBCRITNSA-N
MW289.62 g/mol
LogP3.38
Rot. Bonds2

About (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride

(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride (PubChem CID 171195598) has the molecular formula C8H11ClF7N and a molecular weight of 289.62 g/mol. Its IUPAC name is (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride
PubChem CID171195598
Molecular FormulaC8H11ClF7N
Molecular Weight289.62 g/mol
Exact Mass289.05
IUPAC Name(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)C(F)(F)C(F)(F)[C@H]1CCCCN1
InChIInChI=1S/C8H10F7N.ClH/c9-6(10,5-3-1-2-4-16-5)7(11,12)8(13,14)15;/h5,16H,1-4H2;1H/t5-;/m1./s1
InChIKeyFQPHHKQIBFHHSC-NUBCRITNSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.62
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 66570552
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2-(1-cyclopentyl-1-fluoroethyl)piperidine
CID 105452461
1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
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2-piperidin-2-ylpropan-2-amine
CID 55284786
2-[difluoro(oxan-4-yl)methyl]azepane
CID 115058361
2-(trifluoromethyl)azetidine;hydrochloride
CID 119031729
2-[difluoro(phenyl)methyl]azepane
CID 105483060
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CID 112565009

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride?
The IUPAC name of (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride (CID 171195598) is (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride.
What is the SMILES notation for (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride?
The canonical SMILES for (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride is Cl.FC(F)(F)C(F)(F)C(F)(F)[C@H]1CCCCN1.
What is the InChIKey of (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride?
The InChIKey is FQPHHKQIBFHHSC-NUBCRITNSA-N. The full InChI is InChI=1S/C8H10F7N.ClH/c9-6(10,5-3-1-2-4-16-5)7(11,12)8(13,14)15;/h5,16H,1-4H2;1H/t5-;/m1./s1.
What are the key properties of (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride?
(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride has a molecular weight of 289.62 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine;hydrochloride is sourced from PubChem (CID 171195598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).