(4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol

C9H9FOS — CID 82886779

IUPAC(4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol
SMILESO[C@H]1CSCc2ccc(F)cc21
InChIInChI=1S/C9H9FOS/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3,9,11H,4-5H2/t9-/m0/s1
InChIKeyDGOAVPVTEVSYOS-VIFPVBQESA-N
MW184.23 g/mol
LogP2.11
Rot. Bonds

About (4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol

(4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol (PubChem CID 82886779) has the molecular formula C9H9FOS and a molecular weight of 184.23 g/mol. Its IUPAC name is (4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol.

Molecular Properties

Compound Name(4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol
PubChem CID82886779
Molecular FormulaC9H9FOS
Molecular Weight184.23 g/mol
Exact Mass184.04
IUPAC Name(4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol
SMILESO[C@H]1CSCc2ccc(F)cc21
InChIInChI=1S/C9H9FOS/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3,9,11H,4-5H2/t9-/m0/s1
InChIKeyDGOAVPVTEVSYOS-VIFPVBQESA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol?
The IUPAC name of (4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol (CID 82886779) is (4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol.
What is the SMILES notation for (4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol?
The canonical SMILES for (4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol is O[C@H]1CSCc2ccc(F)cc21.
What is the InChIKey of (4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol?
The InChIKey is DGOAVPVTEVSYOS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9FOS/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3,9,11H,4-5H2/t9-/m0/s1.
What are the key properties of (4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol?
(4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol has a molecular weight of 184.23 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol is sourced from PubChem (CID 82886779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).