2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride

C9H6Cl2F2O3S — CID 150080588

IUPAC2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2c1OC(Cl)CC2(F)F
InChIInChI=1S/C9H6Cl2F2O3S/c10-7-4-9(12,13)5-2-1-3-6(8(5)16-7)17(11,14)15/h1-3,7H,4H2
InChIKeyDREJTZNKBARAAY-UHFFFAOYSA-N
MW303.11 g/mol
LogP3.05
Rot. Bonds1

About 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride

2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride (PubChem CID 150080588) has the molecular formula C9H6Cl2F2O3S and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride
PubChem CID150080588
Molecular FormulaC9H6Cl2F2O3S
Molecular Weight303.11 g/mol
Exact Mass301.94
IUPAC Name2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2c1OC(Cl)CC2(F)F
InChIInChI=1S/C9H6Cl2F2O3S/c10-7-4-9(12,13)5-2-1-3-6(8(5)16-7)17(11,14)15/h1-3,7H,4H2
InChIKeyDREJTZNKBARAAY-UHFFFAOYSA-N
XLogP3.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dihydro-2H-1-benzopyran-6-sulfonyl chloride
CID 24267858
3,4-Dihydro-2H-1-benzopyran-8-sulfonyl chloride
CID 45594303
2,2-Dimethyl-3,4-dihydrochromene-8-sulfonyl chloride
CID 84710266
2-(difluoromethyl)-3,4-dihydro-2H-1-benzopyran-6-sulfonyl chloride
CID 165664763
5-(1,1-Dichloro-2,2,2-trifluoroethyl)-2-methoxybenzenesulfonyl chloride
CID 86605046
2-Methoxy-3-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 129961093
5-Chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride
CID 132203079
2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride
CID 141023258
2-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 155434237
2-(Difluoromethoxy)-3-methylbenzene-1-sulfonyl chloride
CID 165870068
3-Ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 171772379
2-Chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid;hydrochloride
CID 174946769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride?
The IUPAC name of 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride (CID 150080588) is 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride.
What is the SMILES notation for 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride?
The canonical SMILES for 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride is O=S(=O)(Cl)c1cccc2c1OC(Cl)CC2(F)F.
What is the InChIKey of 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride?
The InChIKey is DREJTZNKBARAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F2O3S/c10-7-4-9(12,13)5-2-1-3-6(8(5)16-7)17(11,14)15/h1-3,7H,4H2.
What are the key properties of 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride?
2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride has a molecular weight of 303.11 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride is sourced from PubChem (CID 150080588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).