4-fluoro-4-methylpentane-1-sulfonyl chloride

C6H12ClFO2S — CID 84671175

IUPAC4-fluoro-4-methylpentane-1-sulfonyl chloride
SMILESCC(C)(F)CCCS(=O)(=O)Cl
InChIInChI=1S/C6H12ClFO2S/c1-6(2,8)4-3-5-11(7,9)10/h3-5H2,1-2H3
InChIKeyVPCDIGQBVJZIMI-UHFFFAOYSA-N
MW202.68 g/mol
LogP2.08
Rot. Bonds4

About 4-fluoro-4-methylpentane-1-sulfonyl chloride

4-fluoro-4-methylpentane-1-sulfonyl chloride (PubChem CID 84671175) has the molecular formula C6H12ClFO2S and a molecular weight of 202.68 g/mol. Its IUPAC name is 4-fluoro-4-methylpentane-1-sulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-4-methylpentane-1-sulfonyl chloride
PubChem CID84671175
Molecular FormulaC6H12ClFO2S
Molecular Weight202.68 g/mol
Exact Mass202.02
IUPAC Name4-fluoro-4-methylpentane-1-sulfonyl chloride
SMILESCC(C)(F)CCCS(=O)(=O)Cl
InChIInChI=1S/C6H12ClFO2S/c1-6(2,8)4-3-5-11(7,9)10/h3-5H2,1-2H3
InChIKeyVPCDIGQBVJZIMI-UHFFFAOYSA-N
XLogP2.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Fluorocyclobutyl)methanesulfonyl chloride
CID 119031264
4-Methylpentane-1-sulfonyl chloride
CID 20532481
4-Methylpentane-2-sulfonyl chloride
CID 54347504
2-Methylpentane-1-sulfonyl fluoride
CID 54593061
2-Fluoro-2-methylpropane-1-sulfonyl chloride
CID 126688674
(3-Fluoro-3-methylcyclobutyl)methanesulfonyl chloride
CID 177183782
5-Fluoropentane-1-sulfonyl chloride
CID 3029710
5-Methylhexane-2-sulfonyl chloride
CID 62084209
2,4-Dimethylpentane-1-sulfonyl chloride
CID 83637643
3-Fluoro-2,2-dimethylpropane-1-sulfonyl chloride
CID 84661777
2,2-Difluoro-4-methylpentane-1-sulfonyl chloride
CID 105476859
(3S)-3-fluorobutane-1-sulfonyl chloride
CID 124661264

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methylpentane-1-sulfonyl chloride?
The IUPAC name of 4-fluoro-4-methylpentane-1-sulfonyl chloride (CID 84671175) is 4-fluoro-4-methylpentane-1-sulfonyl chloride.
What is the SMILES notation for 4-fluoro-4-methylpentane-1-sulfonyl chloride?
The canonical SMILES for 4-fluoro-4-methylpentane-1-sulfonyl chloride is CC(C)(F)CCCS(=O)(=O)Cl.
What is the InChIKey of 4-fluoro-4-methylpentane-1-sulfonyl chloride?
The InChIKey is VPCDIGQBVJZIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClFO2S/c1-6(2,8)4-3-5-11(7,9)10/h3-5H2,1-2H3.
What are the key properties of 4-fluoro-4-methylpentane-1-sulfonyl chloride?
4-fluoro-4-methylpentane-1-sulfonyl chloride has a molecular weight of 202.68 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methylpentane-1-sulfonyl chloride is sourced from PubChem (CID 84671175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).