1-(2,2,3,3,3-pentafluoropropyl)piperidine

C8H12F5N — CID 10976891

IUPAC1-(2,2,3,3,3-pentafluoropropyl)piperidine
SMILESFC(F)(F)C(F)(F)CN1CCCCC1
InChIInChI=1S/C8H12F5N/c9-7(10,8(11,12)13)6-14-4-2-1-3-5-14/h1-6H2
InChIKeyGDZUKTWGXFDGSQ-UHFFFAOYSA-N
MW217.18 g/mol
LogP2.67
Rot. Bonds2

About 1-(2,2,3,3,3-pentafluoropropyl)piperidine

1-(2,2,3,3,3-pentafluoropropyl)piperidine (PubChem CID 10976891) has the molecular formula C8H12F5N and a molecular weight of 217.18 g/mol. Its IUPAC name is 1-(2,2,3,3,3-pentafluoropropyl)piperidine.

Molecular Properties

Compound Name1-(2,2,3,3,3-pentafluoropropyl)piperidine
PubChem CID10976891
Molecular FormulaC8H12F5N
Molecular Weight217.18 g/mol
Exact Mass217.09
IUPAC Name1-(2,2,3,3,3-pentafluoropropyl)piperidine
SMILESFC(F)(F)C(F)(F)CN1CCCCC1
InChIInChI=1S/C8H12F5N/c9-7(10,8(11,12)13)6-14-4-2-1-3-5-14/h1-6H2
InChIKeyGDZUKTWGXFDGSQ-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 52.67
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

4,4-Difluoro-1-methylpiperidine
CID 23394529
4,4-Difluoro-1-(prop-2-yn-1-yl)piperidine
CID 127014244
1-(3,3,3-Trifluoroprop-1-ynyl)piperidine
CID 15472876
1-(Trifluoromethyl)piperidine
CID 13147751
1-(2-Fluoroethyl)piperidine
CID 13771413
Trifluoropiperidine
CID 19879593
3,3-Difluoro-1-methylpiperidine
CID 23394528
4,4-Difluoro-1-propylpiperidine
CID 45790542
1-(2,2-Difluoropropyl)piperidine
CID 51357996
1-(2,2,3,3-Tetrafluoropropyl)piperidine
CID 12554035
1-[1,3,3,3-Tetrafluoro-2-(trifluoromethyl)prop-1-enyl]piperidine
CID 12243783
1-[3,3,3-Trifluoro-2-(trifluoromethyl)propyl]piperidine
CID 145231112

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3,3-pentafluoropropyl)piperidine?
The IUPAC name of 1-(2,2,3,3,3-pentafluoropropyl)piperidine (CID 10976891) is 1-(2,2,3,3,3-pentafluoropropyl)piperidine.
What is the SMILES notation for 1-(2,2,3,3,3-pentafluoropropyl)piperidine?
The canonical SMILES for 1-(2,2,3,3,3-pentafluoropropyl)piperidine is FC(F)(F)C(F)(F)CN1CCCCC1.
What is the InChIKey of 1-(2,2,3,3,3-pentafluoropropyl)piperidine?
The InChIKey is GDZUKTWGXFDGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5N/c9-7(10,8(11,12)13)6-14-4-2-1-3-5-14/h1-6H2.
What are the key properties of 1-(2,2,3,3,3-pentafluoropropyl)piperidine?
1-(2,2,3,3,3-pentafluoropropyl)piperidine has a molecular weight of 217.18 g/mol, XLogP of 2.67, 2 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)piperidine is sourced from PubChem (CID 10976891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).