4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine

C9H15F4NO2S — CID 88854828

IUPAC4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)C(F)(F)C(C)(F)F)CC1
InChIInChI=1S/C9H15F4NO2S/c1-7-3-5-14(6-4-7)17(15,16)9(12,13)8(2,10)11/h7H,3-6H2,1-2H3
InChIKeyHPNBQZQMRGSTPN-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.30
Rot. Bonds3

About 4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine

4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine (PubChem CID 88854828) has the molecular formula C9H15F4NO2S and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine
PubChem CID88854828
Molecular FormulaC9H15F4NO2S
Molecular Weight277.28 g/mol
Exact Mass277.08
IUPAC Name4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)C(F)(F)C(C)(F)F)CC1
InChIInChI=1S/C9H15F4NO2S/c1-7-3-5-14(6-4-7)17(15,16)9(12,13)8(2,10)11/h7H,3-6H2,1-2H3
InChIKeyHPNBQZQMRGSTPN-UHFFFAOYSA-N
XLogP2.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine?
The IUPAC name of 4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine (CID 88854828) is 4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine.
What is the SMILES notation for 4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine?
The canonical SMILES for 4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine is CC1CCN(S(=O)(=O)C(F)(F)C(C)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine?
The InChIKey is HPNBQZQMRGSTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO2S/c1-7-3-5-14(6-4-7)17(15,16)9(12,13)8(2,10)11/h7H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine?
4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine has a molecular weight of 277.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine is sourced from PubChem (CID 88854828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).