1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine

C11H18F5N — CID 137409417

IUPAC1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CC(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C11H18F5N/c1-8(2)9-3-5-17(6-4-9)7-10(12,13)11(14,15)16/h8-9H,3-7H2,1-2H3
InChIKeyHBLROFUGGLYKAC-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.55
Rot. Bonds3

About 1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine

1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine (PubChem CID 137409417) has the molecular formula C11H18F5N and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine
PubChem CID137409417
Molecular FormulaC11H18F5N
Molecular Weight259.26 g/mol
Exact Mass259.14
IUPAC Name1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CC(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C11H18F5N/c1-8(2)9-3-5-17(6-4-9)7-10(12,13)11(14,15)16/h8-9H,3-7H2,1-2H3
InChIKeyHBLROFUGGLYKAC-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 174183157
1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine
CID 115030408
1-(iodomethyl)-4-propan-2-ylpiperidine
CID 149079788
3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine
CID 79814334
potassium trifluoro-[(4-propan-2-ylpiperidin-1-yl)methyl]boranuide
CID 103503843
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
1-(2-bromo-3,3,3-trifluoropropyl)-4-propan-2-ylazepane
CID 64759361
1-(2-cyclobutylethyl)-4-propan-2-ylpiperidine
CID 176983543
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 103504047
3,3,3-trifluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propanethioamide
CID 103495762
1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane
CID 176693193

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine (CID 137409417) is 1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(CC(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine?
The InChIKey is HBLROFUGGLYKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F5N/c1-8(2)9-3-5-17(6-4-9)7-10(12,13)11(14,15)16/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine?
1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine has a molecular weight of 259.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 137409417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).