5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride

C7H13ClF2O3S — CID 82008848

IUPAC5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCOCC(F)F
InChIInChI=1S/C7H13ClF2O3S/c8-14(11,12)5-3-1-2-4-13-6-7(9)10/h7H,1-6H2
InChIKeyQTHGISUIMOAACP-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.01
Rot. Bonds8

About 5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride

5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride (PubChem CID 82008848) has the molecular formula C7H13ClF2O3S and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride
PubChem CID82008848
Molecular FormulaC7H13ClF2O3S
Molecular Weight250.69 g/mol
Exact Mass250.02
IUPAC Name5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCOCC(F)F
InChIInChI=1S/C7H13ClF2O3S/c8-14(11,12)5-3-1-2-4-13-6-7(9)10/h7H,1-6H2
InChIKeyQTHGISUIMOAACP-UHFFFAOYSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride?
The IUPAC name of 5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride (CID 82008848) is 5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride.
What is the SMILES notation for 5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride?
The canonical SMILES for 5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride is O=S(=O)(Cl)CCCCCOCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride?
The InChIKey is QTHGISUIMOAACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClF2O3S/c8-14(11,12)5-3-1-2-4-13-6-7(9)10/h7H,1-6H2.
What are the key properties of 5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride?
5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride has a molecular weight of 250.69 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)pentane-1-sulfonyl chloride is sourced from PubChem (CID 82008848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).