4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine

C9H10F9NO2S — CID 151163916

IUPAC4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine
SMILESO=S(=O)(C1CCNCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO2S/c10-6(11,8(14,15)16)7(12,13)9(17,18)22(20,21)5-1-3-19-4-2-5/h5,19H,1-4H2
InChIKeyNAVTYTUJGXCSQZ-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.58
Rot. Bonds4

About 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine

4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine (PubChem CID 151163916) has the molecular formula C9H10F9NO2S and a molecular weight of 367.23 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine
PubChem CID151163916
Molecular FormulaC9H10F9NO2S
Molecular Weight367.23 g/mol
Exact Mass367.03
IUPAC Name4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine
SMILESO=S(=O)(C1CCNCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO2S/c10-6(11,8(14,15)16)7(12,13)9(17,18)22(20,21)5-1-3-19-4-2-5/h5,19H,1-4H2
InChIKeyNAVTYTUJGXCSQZ-UHFFFAOYSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Difluoromethanesulfonylpiperidine hydrochloride
CID 154814546
4-(Ethanesulfonyl)piperidine
CID 53404297
4-(Propane-1-sulfonyl)piperidine
CID 54059246
4-(Propane-2-sulfonyl)piperidine
CID 57231271
1-Methanidyl-4-(trifluoromethylsulfonyl)piperidin-1-ium
CID 57868235
4-(Trifluoromethylsulfonyl)piperidine
CID 66596407
N-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine
CID 86696821
3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 86696826
N-(2,2-difluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine
CID 86696827
N-methyl-4-[(4,4,5,5,5-pentafluoropentyl)sulphonyl]butane-1-amine
CID 86696860
N-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 86696867
3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-propylpropan-1-amine
CID 88547148

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine?
The IUPAC name of 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine (CID 151163916) is 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine.
What is the SMILES notation for 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine?
The canonical SMILES for 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine is O=S(=O)(C1CCNCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine?
The InChIKey is NAVTYTUJGXCSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F9NO2S/c10-6(11,8(14,15)16)7(12,13)9(17,18)22(20,21)5-1-3-19-4-2-5/h5,19H,1-4H2.
What are the key properties of 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine?
4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine has a molecular weight of 367.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine is sourced from PubChem (CID 151163916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).