2-(2,5-difluorophenyl)sulfinylacetaldehyde

C8H6F2O2S — CID 66223483

IUPAC2-(2,5-difluorophenyl)sulfinylacetaldehyde
SMILESO=CCS(=O)c1cc(F)ccc1F
InChIInChI=1S/C8H6F2O2S/c9-6-1-2-7(10)8(5-6)13(12)4-3-11/h1-3,5H,4H2
InChIKeyWSRKUNIMIQODGV-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.27
Rot. Bonds3

About 2-(2,5-difluorophenyl)sulfinylacetaldehyde

2-(2,5-difluorophenyl)sulfinylacetaldehyde (PubChem CID 66223483) has the molecular formula C8H6F2O2S and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfinylacetaldehyde.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfinylacetaldehyde
PubChem CID66223483
Molecular FormulaC8H6F2O2S
Molecular Weight204.20 g/mol
Exact Mass204.01
IUPAC Name2-(2,5-difluorophenyl)sulfinylacetaldehyde
SMILESO=CCS(=O)c1cc(F)ccc1F
InChIInChI=1S/C8H6F2O2S/c9-6-1-2-7(10)8(5-6)13(12)4-3-11/h1-3,5H,4H2
InChIKeyWSRKUNIMIQODGV-UHFFFAOYSA-N
XLogP1.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-difluorophenyl)sulfinylpentan-1-amine
CID 81328148
[4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 81328368
sodium 2,5-difluorobenzenesulfinate
CID 50998756
1-(2,5-difluorophenyl)sulfinyl-3-methylbutan-2-one
CID 79392957
1-(2,5-difluorophenyl)sulfinylpentan-2-one
CID 64638329
1-(2,5-difluorophenyl)sulfinylpentan-2-amine
CID 64651062
5-(2,5-difluorophenyl)sulfinylpentanoic acid
CID 61303969
1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine
CID 104754679
3-(2,5-difluorophenyl)sulfinyl-2-ethoxypropan-1-amine
CID 81328146
1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone
CID 64641141
1-(2,5-difluorophenyl)sulfinyl-N-methylbutan-2-amine
CID 64652274
5-[(2,5-difluorophenyl)sulfinylmethyl]-2-fluorobenzonitrile
CID 107894573

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfinylacetaldehyde?
The IUPAC name of 2-(2,5-difluorophenyl)sulfinylacetaldehyde (CID 66223483) is 2-(2,5-difluorophenyl)sulfinylacetaldehyde.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfinylacetaldehyde?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfinylacetaldehyde is O=CCS(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfinylacetaldehyde?
The InChIKey is WSRKUNIMIQODGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2S/c9-6-1-2-7(10)8(5-6)13(12)4-3-11/h1-3,5H,4H2.
What are the key properties of 2-(2,5-difluorophenyl)sulfinylacetaldehyde?
2-(2,5-difluorophenyl)sulfinylacetaldehyde has a molecular weight of 204.20 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfinylacetaldehyde is sourced from PubChem (CID 66223483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).