2-bromo-1,1-difluoro-1-methylsulfonylnonane

C10H19BrF2O2S — CID 86233117

IUPAC2-bromo-1,1-difluoro-1-methylsulfonylnonane
SMILESCCCCCCCC(Br)C(F)(F)S(C)(=O)=O
InChIInChI=1S/C10H19BrF2O2S/c1-3-4-5-6-7-8-9(11)10(12,13)16(2,14)15/h9H,3-8H2,1-2H3
InChIKeyQEWKWCYQEWLOKY-UHFFFAOYSA-N
MW321.23 g/mol
LogP3.75
Rot. Bonds8

About 2-bromo-1,1-difluoro-1-methylsulfonylnonane

2-bromo-1,1-difluoro-1-methylsulfonylnonane (PubChem CID 86233117) has the molecular formula C10H19BrF2O2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 2-bromo-1,1-difluoro-1-methylsulfonylnonane.

Molecular Properties

Compound Name2-bromo-1,1-difluoro-1-methylsulfonylnonane
PubChem CID86233117
Molecular FormulaC10H19BrF2O2S
Molecular Weight321.23 g/mol
Exact Mass320.03
IUPAC Name2-bromo-1,1-difluoro-1-methylsulfonylnonane
SMILESCCCCCCCC(Br)C(F)(F)S(C)(=O)=O
InChIInChI=1S/C10H19BrF2O2S/c1-3-4-5-6-7-8-9(11)10(12,13)16(2,14)15/h9H,3-8H2,1-2H3
InChIKeyQEWKWCYQEWLOKY-UHFFFAOYSA-N
XLogP3.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-1-(bromomethylsulfonyl)octane
CID 13172731
1-Bromo-9-(4,4,5,5,5-pentafluoropentylsulfonyl)nonane
CID 22131092
3-Bromo-1,1-bis(trifluoromethylsulfonyl)nonane
CID 87353417
1-Bromo-8-(trifluoromethylsulfonyl)octane
CID 175783771
5-Bromo-5-[difluoro(methylsulfonyl)methyl]nonane
CID 86233112
2-Bromo-1,1-difluoro-4,8-dimethyl-1-methylsulfonylnonane
CID 86233120
3-Bromo-2-(bromomethylsulfonyl)octane
CID 13172732
5-Bromo-6-(bromomethylsulfonyl)decane
CID 13658485
2-Bromo-1-methylsulfonyloctane
CID 15061600
8-Bromo-2-(bromomethylsulfonyl)tetradecane
CID 20240600
2-Bromo-1-(bromomethylsulfonyl)decane
CID 20240620
2-Bromo-1-(bromomethylsulfonyl)dodecane
CID 20240639

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-difluoro-1-methylsulfonylnonane?
The IUPAC name of 2-bromo-1,1-difluoro-1-methylsulfonylnonane (CID 86233117) is 2-bromo-1,1-difluoro-1-methylsulfonylnonane.
What is the SMILES notation for 2-bromo-1,1-difluoro-1-methylsulfonylnonane?
The canonical SMILES for 2-bromo-1,1-difluoro-1-methylsulfonylnonane is CCCCCCCC(Br)C(F)(F)S(C)(=O)=O.
What is the InChIKey of 2-bromo-1,1-difluoro-1-methylsulfonylnonane?
The InChIKey is QEWKWCYQEWLOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrF2O2S/c1-3-4-5-6-7-8-9(11)10(12,13)16(2,14)15/h9H,3-8H2,1-2H3.
What are the key properties of 2-bromo-1,1-difluoro-1-methylsulfonylnonane?
2-bromo-1,1-difluoro-1-methylsulfonylnonane has a molecular weight of 321.23 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-difluoro-1-methylsulfonylnonane is sourced from PubChem (CID 86233117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).