6,7-difluoro-3,4-dihydro-2H-thiochromene

C9H8F2S — CID 171787807

IUPAC6,7-difluoro-3,4-dihydro-2H-thiochromene
SMILESFc1cc2c(cc1F)SCCC2
InChIInChI=1S/C9H8F2S/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h4-5H,1-3H2
InChIKeyKMGLQSOOZAJMSZ-UHFFFAOYSA-N
MW186.23 g/mol
LogP3.00
Rot. Bonds

About 6,7-difluoro-3,4-dihydro-2H-thiochromene

6,7-difluoro-3,4-dihydro-2H-thiochromene (PubChem CID 171787807) has the molecular formula C9H8F2S and a molecular weight of 186.23 g/mol. Its IUPAC name is 6,7-difluoro-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name6,7-difluoro-3,4-dihydro-2H-thiochromene
PubChem CID171787807
Molecular FormulaC9H8F2S
Molecular Weight186.23 g/mol
Exact Mass186.03
IUPAC Name6,7-difluoro-3,4-dihydro-2H-thiochromene
SMILESFc1cc2c(cc1F)SCCC2
InChIInChI=1S/C9H8F2S/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h4-5H,1-3H2
InChIKeyKMGLQSOOZAJMSZ-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3,4-dihydro-2H-thiochromene?
The IUPAC name of 6,7-difluoro-3,4-dihydro-2H-thiochromene (CID 171787807) is 6,7-difluoro-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 6,7-difluoro-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 6,7-difluoro-3,4-dihydro-2H-thiochromene is Fc1cc2c(cc1F)SCCC2.
What is the InChIKey of 6,7-difluoro-3,4-dihydro-2H-thiochromene?
The InChIKey is KMGLQSOOZAJMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2S/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h4-5H,1-3H2.
What are the key properties of 6,7-difluoro-3,4-dihydro-2H-thiochromene?
6,7-difluoro-3,4-dihydro-2H-thiochromene has a molecular weight of 186.23 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 171787807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).