2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid

C10H10F2O3S — CID 156797156

IUPAC2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid
SMILESO=S(O)c1ccc2c(c1)CCC(C(F)F)O2
InChIInChI=1S/C10H10F2O3S/c11-10(12)9-3-1-6-5-7(16(13)14)2-4-8(6)15-9/h2,4-5,9-10H,1,3H2,(H,13,14)
InChIKeyODVVLHFSAKZMIO-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.23
Rot. Bonds2

About 2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid

2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid (PubChem CID 156797156) has the molecular formula C10H10F2O3S and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid
PubChem CID156797156
Molecular FormulaC10H10F2O3S
Molecular Weight248.25 g/mol
Exact Mass248.03
IUPAC Name2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid
SMILESO=S(O)c1ccc2c(c1)CCC(C(F)F)O2
InChIInChI=1S/C10H10F2O3S/c11-10(12)9-3-1-6-5-7(16(13)14)2-4-8(6)15-9/h2,4-5,9-10H,1,3H2,(H,13,14)
InChIKeyODVVLHFSAKZMIO-UHFFFAOYSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Ethoxy-3-methylbenzenesulfonyl chloride
CID 17389860
2,3-Dihydro-1-benzofuran-5-sulfonic acid
CID 20094511
4-Methoxy-3-(trifluoromethyl)benzenesulfonyl chloride
CID 22482384
3,4-Dihydro-2H-1-benzopyran-6-sulfonyl chloride
CID 24267858
2-Methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 43187311
3,4-Dihydro-2H-1-benzopyran-8-sulfonyl chloride
CID 45594303
3,4-dihydro-2H-1-benzopyran-6-sulfonamide
CID 63840602
4-Ethoxy-3-(propan-2-yl)benzene-1-sulfonyl chloride
CID 43134438
4-Ethoxy-3-phenylbenzene-1-sulfonyl chloride
CID 43246996
2-cyclopropyl-4-methyl-3,4-dihydro-2H-1-benzopyran-6-sulfonyl chloride
CID 165590425
2,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonyl chloride
CID 165604901
2-(difluoromethyl)-3,4-dihydro-2H-1-benzopyran-6-sulfonyl chloride
CID 165664763

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid?
The IUPAC name of 2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid (CID 156797156) is 2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid.
What is the SMILES notation for 2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid?
The canonical SMILES for 2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid is O=S(O)c1ccc2c(c1)CCC(C(F)F)O2.
What is the InChIKey of 2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid?
The InChIKey is ODVVLHFSAKZMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3S/c11-10(12)9-3-1-6-5-7(16(13)14)2-4-8(6)15-9/h2,4-5,9-10H,1,3H2,(H,13,14).
What are the key properties of 2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid?
2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid has a molecular weight of 248.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfinic acid is sourced from PubChem (CID 156797156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).