1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C11H20FNO4S — CID 168713541

IUPAC1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(C)(CO)CCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C11H20FNO4S/c1-11(2,8-14)4-3-5-13-7-9(6-10(13)15)18(12,16)17/h9,14H,3-8H2,1-2H3
InChIKeyCZAXTYYHTDDCEH-UHFFFAOYSA-N
MW281.35 g/mol
LogP0.69
Rot. Bonds6

About 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713541) has the molecular formula C11H20FNO4S and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713541
Molecular FormulaC11H20FNO4S
Molecular Weight281.35 g/mol
Exact Mass281.11
IUPAC Name1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC(C)(CO)CCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C11H20FNO4S/c1-11(2,8-14)4-3-5-13-7-9(6-10(13)15)18(12,16)17/h9,14H,3-8H2,1-2H3
InChIKeyCZAXTYYHTDDCEH-UHFFFAOYSA-N
XLogP0.69
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713541) is 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride is CC(C)(CO)CCCN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is CZAXTYYHTDDCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO4S/c1-11(2,8-14)4-3-5-13-7-9(6-10(13)15)18(12,16)17/h9,14H,3-8H2,1-2H3.
What are the key properties of 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 281.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-4,4-dimethylpentyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).