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

C11H12ClFO3S — CID 131984149

IUPAC7-chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene
SMILESCc1cc2c(cc1Cl)OCCC2(F)S(C)(=O)=O
InChIInChI=1S/C11H12ClFO3S/c1-7-5-8-10(6-9(7)12)16-4-3-11(8,13)17(2,14)15/h5-6H,3-4H2,1-2H3
InChIKeyABHVCXTUNSBJJH-UHFFFAOYSA-N
MW278.73 g/mol
LogP2.60
Rot. Bonds1

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

7-chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene (PubChem CID 131984149) has the molecular formula C11H12ClFO3S and a molecular weight of 278.73 g/mol. Its IUPAC name is 7-chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene.

Molecular Properties

Compound Name7-chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene
PubChem CID131984149
Molecular FormulaC11H12ClFO3S
Molecular Weight278.73 g/mol
Exact Mass278.02
IUPAC Name7-chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene
SMILESCc1cc2c(cc1Cl)OCCC2(F)S(C)(=O)=O
InChIInChI=1S/C11H12ClFO3S/c1-7-5-8-10(6-9(7)12)16-4-3-11(8,13)17(2,14)15/h5-6H,3-4H2,1-2H3
InChIKeyABHVCXTUNSBJJH-UHFFFAOYSA-N
XLogP2.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-8-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 59795222
5-Chloro-6-ethyl-3,3-difluoro-2,4-dihydrochromene
CID 68049295
5-chloro-6-ethyl-8-fluoro-3,4-dihydro-2H-chromene
CID 70823938
5-chloro-8-fluoro-6-methyl-3,4-dihydro-2H-chromene
CID 71016316
5-Chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene
CID 71016985
7-Chloro-3-fluoro-3-methyl-6-propan-2-yl-2,4-dihydrochromene
CID 117624615
7-Chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene-6-carbaldehyde
CID 131983990
6-(Bromomethyl)-7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene
CID 131984049
2-(Bromomethyl)-7-chloro-4-fluoro-4-methylsulfonyl-2,3-dihydrochromene
CID 131984081
5-Chloro-4,4-difluoro-8-methyl-2,3-dihydrochromene
CID 138535668
5-Chloro-3,3-difluoro-6-methyl-2,4-dihydrochromene;ethane
CID 143804436
1-[[2-(4-Chlorophenyl)-5,5-difluorocyclohexen-1-yl]methoxy]-4-ethyl-2-(4-methylsulfonylbutyl)benzene
CID 162702661

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene?
The IUPAC name of 7-chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene (CID 131984149) is 7-chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene.
What is the SMILES notation for 7-chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene?
The canonical SMILES for 7-chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene is Cc1cc2c(cc1Cl)OCCC2(F)S(C)(=O)=O.
What is the InChIKey of 7-chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene?
The InChIKey is ABHVCXTUNSBJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO3S/c1-7-5-8-10(6-9(7)12)16-4-3-11(8,13)17(2,14)15/h5-6H,3-4H2,1-2H3.
What are the key properties of 7-chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene?
7-chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene has a molecular weight of 278.73 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-fluoro-6-methyl-4-methylsulfonyl-2,3-dihydrochromene is sourced from PubChem (CID 131984149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).