2,4,4-trimethylpentane-2-sulfonyl fluoride

C8H17FO2S — CID 87774133

IUPAC2,4,4-trimethylpentane-2-sulfonyl fluoride
SMILESCC(C)(C)CC(C)(C)S(=O)(=O)F
InChIInChI=1S/C8H17FO2S/c1-7(2,3)6-8(4,5)12(9,10)11/h6H2,1-5H3
InChIKeyQYBWTPSMHALADY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.50
Rot. Bonds2

About 2,4,4-trimethylpentane-2-sulfonyl fluoride

2,4,4-trimethylpentane-2-sulfonyl fluoride (PubChem CID 87774133) has the molecular formula C8H17FO2S and a molecular weight of 196.29 g/mol. Its IUPAC name is 2,4,4-trimethylpentane-2-sulfonyl fluoride.

Molecular Properties

Compound Name2,4,4-trimethylpentane-2-sulfonyl fluoride
PubChem CID87774133
Molecular FormulaC8H17FO2S
Molecular Weight196.29 g/mol
Exact Mass196.09
IUPAC Name2,4,4-trimethylpentane-2-sulfonyl fluoride
SMILESCC(C)(C)CC(C)(C)S(=O)(=O)F
InChIInChI=1S/C8H17FO2S/c1-7(2,3)6-8(4,5)12(9,10)11/h6H2,1-5H3
InChIKeyQYBWTPSMHALADY-UHFFFAOYSA-N
XLogP2.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylpentane-2-sulfonyl fluoride?
The IUPAC name of 2,4,4-trimethylpentane-2-sulfonyl fluoride (CID 87774133) is 2,4,4-trimethylpentane-2-sulfonyl fluoride.
What is the SMILES notation for 2,4,4-trimethylpentane-2-sulfonyl fluoride?
The canonical SMILES for 2,4,4-trimethylpentane-2-sulfonyl fluoride is CC(C)(C)CC(C)(C)S(=O)(=O)F.
What is the InChIKey of 2,4,4-trimethylpentane-2-sulfonyl fluoride?
The InChIKey is QYBWTPSMHALADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO2S/c1-7(2,3)6-8(4,5)12(9,10)11/h6H2,1-5H3.
What are the key properties of 2,4,4-trimethylpentane-2-sulfonyl fluoride?
2,4,4-trimethylpentane-2-sulfonyl fluoride has a molecular weight of 196.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylpentane-2-sulfonyl fluoride is sourced from PubChem (CID 87774133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).