(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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Related Compounds

6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol
CID 82885860
(4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol
CID 107898639
7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol
CID 62737680
3-fluoro-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934544
6-fluoro-N,3-dimethyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82887464
7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 115026714
(5R)-7-fluoro-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82889661
(1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837861
3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356574
7-tert-butyl-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82887536
(5R)-7-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82885997
2-amino-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 71432297

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).