8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene

C12H12ClFS — CID 123726240

IUPAC8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene
SMILESFc1ccc2c(c1Cl)SCCC2C1CC1
InChIInChI=1S/C12H12ClFS/c13-11-10(14)4-3-9-8(7-1-2-7)5-6-15-12(9)11/h3-4,7-8H,1-2,5-6H2
InChIKeyVYHIOWDBQUMZIA-UHFFFAOYSA-N
MW242.75 g/mol
LogP4.47
Rot. Bonds1

About 8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene

8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene (PubChem CID 123726240) has the molecular formula C12H12ClFS and a molecular weight of 242.75 g/mol. Its IUPAC name is 8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene
PubChem CID123726240
Molecular FormulaC12H12ClFS
Molecular Weight242.75 g/mol
Exact Mass242.03
IUPAC Name8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene
SMILESFc1ccc2c(c1Cl)SCCC2C1CC1
InChIInChI=1S/C12H12ClFS/c13-11-10(14)4-3-9-8(7-1-2-7)5-6-15-12(9)11/h3-4,7-8H,1-2,5-6H2
InChIKeyVYHIOWDBQUMZIA-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene?
The IUPAC name of 8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene (CID 123726240) is 8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene is Fc1ccc2c(c1Cl)SCCC2C1CC1.
What is the InChIKey of 8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene?
The InChIKey is VYHIOWDBQUMZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFS/c13-11-10(14)4-3-9-8(7-1-2-7)5-6-15-12(9)11/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene?
8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene has a molecular weight of 242.75 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 123726240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).