3,3-dimethylpentane-1-sulfonyl fluoride

C7H15FO2S — CID 165452848

IUPAC3,3-dimethylpentane-1-sulfonyl fluoride
SMILESCCC(C)(C)CCS(=O)(=O)F
InChIInChI=1S/C7H15FO2S/c1-4-7(2,3)5-6-11(8,9)10/h4-6H2,1-3H3
InChIKeyYBKYBXCAJHDTRR-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.11
Rot. Bonds4

About 3,3-dimethylpentane-1-sulfonyl fluoride

3,3-dimethylpentane-1-sulfonyl fluoride (PubChem CID 165452848) has the molecular formula C7H15FO2S and a molecular weight of 182.26 g/mol. Its IUPAC name is 3,3-dimethylpentane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3,3-dimethylpentane-1-sulfonyl fluoride
PubChem CID165452848
Molecular FormulaC7H15FO2S
Molecular Weight182.26 g/mol
Exact Mass182.08
IUPAC Name3,3-dimethylpentane-1-sulfonyl fluoride
SMILESCCC(C)(C)CCS(=O)(=O)F
InChIInChI=1S/C7H15FO2S/c1-4-7(2,3)5-6-11(8,9)10/h4-6H2,1-3H3
InChIKeyYBKYBXCAJHDTRR-UHFFFAOYSA-N
XLogP2.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentane-1-sulfonyl fluoride?
The IUPAC name of 3,3-dimethylpentane-1-sulfonyl fluoride (CID 165452848) is 3,3-dimethylpentane-1-sulfonyl fluoride.
What is the SMILES notation for 3,3-dimethylpentane-1-sulfonyl fluoride?
The canonical SMILES for 3,3-dimethylpentane-1-sulfonyl fluoride is CCC(C)(C)CCS(=O)(=O)F.
What is the InChIKey of 3,3-dimethylpentane-1-sulfonyl fluoride?
The InChIKey is YBKYBXCAJHDTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO2S/c1-4-7(2,3)5-6-11(8,9)10/h4-6H2,1-3H3.
What are the key properties of 3,3-dimethylpentane-1-sulfonyl fluoride?
3,3-dimethylpentane-1-sulfonyl fluoride has a molecular weight of 182.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentane-1-sulfonyl fluoride is sourced from PubChem (CID 165452848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).