7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde

C11H10ClFO4S — CID 131983990

IUPAC7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde
SMILESCS(=O)(=O)C1(F)CCOc2cc(Cl)c(C=O)cc21
InChIInChI=1S/C11H10ClFO4S/c1-18(15,16)11(13)2-3-17-10-5-9(12)7(6-14)4-8(10)11/h4-6H,2-3H2,1H3
InChIKeyFGCGYJDYNAMXDJ-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.10
Rot. Bonds2

About 7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde

7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde (PubChem CID 131983990) has the molecular formula C11H10ClFO4S and a molecular weight of 292.72 g/mol. Its IUPAC name is 7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde.

Molecular Properties

Compound Name7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde
PubChem CID131983990
Molecular FormulaC11H10ClFO4S
Molecular Weight292.72 g/mol
Exact Mass292.00
IUPAC Name7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde
SMILESCS(=O)(=O)C1(F)CCOc2cc(Cl)c(C=O)cc21
InChIInChI=1S/C11H10ClFO4S/c1-18(15,16)11(13)2-3-17-10-5-9(12)7(6-14)4-8(10)11/h4-6H,2-3H2,1H3
InChIKeyFGCGYJDYNAMXDJ-UHFFFAOYSA-N
XLogP2.10
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde?
The IUPAC name of 7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde (CID 131983990) is 7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde.
What is the SMILES notation for 7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde?
The canonical SMILES for 7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde is CS(=O)(=O)C1(F)CCOc2cc(Cl)c(C=O)cc21.
What is the InChIKey of 7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde?
The InChIKey is FGCGYJDYNAMXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO4S/c1-18(15,16)11(13)2-3-17-10-5-9(12)7(6-14)4-8(10)11/h4-6H,2-3H2,1H3.
What are the key properties of 7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde?
7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde has a molecular weight of 292.72 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde is sourced from PubChem (CID 131983990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).