5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride

C8H15ClF2O3S — CID 82010517

IUPAC5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride
SMILESCC(CCOCC(F)F)CCS(=O)(=O)Cl
InChIInChI=1S/C8H15ClF2O3S/c1-7(3-5-15(9,12)13)2-4-14-6-8(10)11/h7-8H,2-6H2,1H3
InChIKeyHPXQCTPGCVEDBK-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.25
Rot. Bonds8

About 5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride

5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride (PubChem CID 82010517) has the molecular formula C8H15ClF2O3S and a molecular weight of 264.72 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride
PubChem CID82010517
Molecular FormulaC8H15ClF2O3S
Molecular Weight264.72 g/mol
Exact Mass264.04
IUPAC Name5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride
SMILESCC(CCOCC(F)F)CCS(=O)(=O)Cl
InChIInChI=1S/C8H15ClF2O3S/c1-7(3-5-15(9,12)13)2-4-14-6-8(10)11/h7-8H,2-6H2,1H3
InChIKeyHPXQCTPGCVEDBK-UHFFFAOYSA-N
XLogP2.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.25
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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Related Compounds

5-Methoxy-3-methylpentane-1-sulfonyl chloride
CID 65664720
(4-(1,1-Difluoroethyl)oxan-4-yl)methanesulfonyl chloride
CID 132398782
(4,4-Difluorooxan-3-yl)methanesulfonyl chloride
CID 145867159
5-(2,2,2-Trifluoroethoxy)pentane-1-sulfonyl chloride
CID 64198633
2-Methyl-3-(2,2,2-trifluoroethoxy)propane-1-sulfonyl chloride
CID 64217635
2-[(2,2,2-Trifluoroethoxy)methyl]butane-1-sulfonyl chloride
CID 64999856
2-Ethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonyl chloride
CID 65003926
2-[(2,2,2-Trifluoroethoxy)methyl]pentane-1-sulfonyl chloride
CID 65012600
3-Methyl-2-[(2,2,2-trifluoroethoxy)methyl]butane-1-sulfonyl chloride
CID 65012882
3-Methyl-5-(2,2,2-trifluoroethoxy)pentane-1-sulfonyl chloride
CID 65664516
3-Methyl-5-(2,2,2-trifluoroethoxy)pentane-1-sulfonamide
CID 65667226
2-{[(1,1,1-Trifluoropropan-2-yl)oxy]methyl}butane-1-sulfonyl chloride
CID 66274896

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride?
The IUPAC name of 5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride (CID 82010517) is 5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride?
The canonical SMILES for 5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride is CC(CCOCC(F)F)CCS(=O)(=O)Cl.
What is the InChIKey of 5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride?
The InChIKey is HPXQCTPGCVEDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClF2O3S/c1-7(3-5-15(9,12)13)2-4-14-6-8(10)11/h7-8H,2-6H2,1H3.
What are the key properties of 5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride?
5-(2,2-difluoroethoxy)-3-methylpentane-1-sulfonyl chloride has a molecular weight of 264.72 g/mol, XLogP of 2.25, 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)-3-methylpentane-1-sulfonyl chloride is sourced from PubChem (CID 82010517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).