(4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite

C12H13FOS — CID 123248958

IUPAC(4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite
SMILESFSc1ccc2c(c1)OCCC2C1CC1
InChIInChI=1S/C12H13FOS/c13-15-9-3-4-11-10(8-1-2-8)5-6-14-12(11)7-9/h3-4,7-8,10H,1-2,5-6H2
InChIKeyPIRBJCAYZBYWPF-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.94
Rot. Bonds2

About (4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite

(4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite (PubChem CID 123248958) has the molecular formula C12H13FOS and a molecular weight of 224.30 g/mol. Its IUPAC name is (4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite.

Molecular Properties

Compound Name(4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite
PubChem CID123248958
Molecular FormulaC12H13FOS
Molecular Weight224.30 g/mol
Exact Mass224.07
IUPAC Name(4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite
SMILESFSc1ccc2c(c1)OCCC2C1CC1
InChIInChI=1S/C12H13FOS/c13-15-9-3-4-11-10(8-1-2-8)5-6-14-12(11)7-9/h3-4,7-8,10H,1-2,5-6H2
InChIKeyPIRBJCAYZBYWPF-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite?
The IUPAC name of (4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite (CID 123248958) is (4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite.
What is the SMILES notation for (4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite?
The canonical SMILES for (4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite is FSc1ccc2c(c1)OCCC2C1CC1.
What is the InChIKey of (4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite?
The InChIKey is PIRBJCAYZBYWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FOS/c13-15-9-3-4-11-10(8-1-2-8)5-6-14-12(11)7-9/h3-4,7-8,10H,1-2,5-6H2.
What are the key properties of (4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite?
(4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite has a molecular weight of 224.30 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite is sourced from PubChem (CID 123248958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).