2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid

C9H7ClF2O4S — CID 174946770

IUPAC2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid
SMILESO=S(=O)(O)c1cccc2c1OC(Cl)CC2(F)F
InChIInChI=1S/C9H7ClF2O4S/c10-7-4-9(11,12)5-2-1-3-6(8(5)16-7)17(13,14)15/h1-3,7H,4H2,(H,13,14,15)
InChIKeyHFDTYFBLBOHSSZ-UHFFFAOYSA-N
MW284.67 g/mol
LogP2.37
Rot. Bonds1

About 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid

2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid (PubChem CID 174946770) has the molecular formula C9H7ClF2O4S and a molecular weight of 284.67 g/mol. Its IUPAC name is 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid.

Molecular Properties

Compound Name2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid
PubChem CID174946770
Molecular FormulaC9H7ClF2O4S
Molecular Weight284.67 g/mol
Exact Mass283.97
IUPAC Name2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid
SMILESO=S(=O)(O)c1cccc2c1OC(Cl)CC2(F)F
InChIInChI=1S/C9H7ClF2O4S/c10-7-4-9(11,12)5-2-1-3-6(8(5)16-7)17(13,14)15/h1-3,7H,4H2,(H,13,14,15)
InChIKeyHFDTYFBLBOHSSZ-UHFFFAOYSA-N
XLogP2.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-Dihydro-2H-1-benzopyran-8-sulfonyl chloride
CID 45594303
2-(difluoromethyl)-3,4-dihydro-2H-1-benzopyran-6-sulfonyl chloride
CID 165664763
8-hydroxysulfanyl-3,4-dihydro-2H-chromene
CID 57105823
3-Methyl-2-(trifluoromethoxy)benzenesulfonic acid
CID 59058131
5-Chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride
CID 132203079
2-Chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride
CID 150080588
2-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 155434237
4-Ethoxy-3-(trifluoromethyl)benzenesulfonic acid;hydrochloride
CID 174921514
2-Chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid;hydrochloride
CID 174946769
[2-Chloro-8-chlorosulfonyl-4-(trifluoromethyl)-2,3-dihydrochromen-4-yl] acetate
CID 175246752
4,4,7-Trifluoro-2,3-dihydrochromene-8-sulfonyl chloride
CID 176205307
2-[2-(12-Chlorododecyl)phenoxy]benzenesulfonic acid
CID 56843189

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid?
The IUPAC name of 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid (CID 174946770) is 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid.
What is the SMILES notation for 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid?
The canonical SMILES for 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid is O=S(=O)(O)c1cccc2c1OC(Cl)CC2(F)F.
What is the InChIKey of 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid?
The InChIKey is HFDTYFBLBOHSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O4S/c10-7-4-9(11,12)5-2-1-3-6(8(5)16-7)17(13,14)15/h1-3,7H,4H2,(H,13,14,15).
What are the key properties of 2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid?
2-chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonic acid has a molecular weight of 284.67 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 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-sulfonic acid is sourced from PubChem (CID 174946770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).