(4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol

C9H8ClFOS — CID 107898639

IUPAC(4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol
SMILESO[C@H]1CSCc2cc(F)c(Cl)cc21
InChIInChI=1S/C9H8ClFOS/c10-7-2-6-5(1-8(7)11)3-13-4-9(6)12/h1-2,9,12H,3-4H2/t9-/m0/s1
InChIKeyIMQRURGSGRRTIZ-VIFPVBQESA-N
MW218.68 g/mol
LogP2.76
Rot. Bonds

About (4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol

(4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol (PubChem CID 107898639) has the molecular formula C9H8ClFOS and a molecular weight of 218.68 g/mol. Its IUPAC name is (4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol.

Molecular Properties

Compound Name(4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol
PubChem CID107898639
Molecular FormulaC9H8ClFOS
Molecular Weight218.68 g/mol
Exact Mass218.00
IUPAC Name(4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol
SMILESO[C@H]1CSCc2cc(F)c(Cl)cc21
InChIInChI=1S/C9H8ClFOS/c10-7-2-6-5(1-8(7)11)3-13-4-9(6)12/h1-2,9,12H,3-4H2/t9-/m0/s1
InChIKeyIMQRURGSGRRTIZ-VIFPVBQESA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol with MolForge

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Related Compounds

(4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol
CID 82886779
(4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol
CID 82886568
6-chloro-7-fluoro-1H-isothiochromen-4-one
CID 107898610
6-chloro-N-ethyl-7-fluoro-3-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 107898676
6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol
CID 82885860
(4R)-7,8-dichloro-3,4-dihydro-1H-isothiochromen-4-ol
CID 107311182
(4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 82717481
6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 107898706
4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol
CID 66518698
7-chloro-9-fluoro-N,4-dimethyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 114863042
4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol
CID 107885968
(4R)-7-chloro-8-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
CID 102864771

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol?
The IUPAC name of (4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol (CID 107898639) is (4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol.
What is the SMILES notation for (4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol?
The canonical SMILES for (4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol is O[C@H]1CSCc2cc(F)c(Cl)cc21.
What is the InChIKey of (4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol?
The InChIKey is IMQRURGSGRRTIZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H8ClFOS/c10-7-2-6-5(1-8(7)11)3-13-4-9(6)12/h1-2,9,12H,3-4H2/t9-/m0/s1.
What are the key properties of (4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol?
(4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol has a molecular weight of 218.68 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol is sourced from PubChem (CID 107898639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).