4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol

C10H11FOS — CID 84721000

IUPAC4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol
SMILESCC1(F)CCSc2c(O)cccc21
InChIInChI=1S/C10H11FOS/c1-10(11)5-6-13-9-7(10)3-2-4-8(9)12/h2-4,12H,5-6H2,1H3
InChIKeyWRCCMMPMCFYTKQ-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.07
Rot. Bonds

About 4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol

4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol (PubChem CID 84721000) has the molecular formula C10H11FOS and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol.

Molecular Properties

Compound Name4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol
PubChem CID84721000
Molecular FormulaC10H11FOS
Molecular Weight198.26 g/mol
Exact Mass198.05
IUPAC Name4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol
SMILESCC1(F)CCSc2c(O)cccc21
InChIInChI=1S/C10H11FOS/c1-10(11)5-6-13-9-7(10)3-2-4-8(9)12/h2-4,12H,5-6H2,1H3
InChIKeyWRCCMMPMCFYTKQ-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 84652361
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CID 84720485
4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol
CID 84718477
2-(3,3-difluoro-2-methyloxiran-2-yl)phenol
CID 130034849
(5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol
CID 170294723
4-fluoro-4,8-dimethyl-2,3-dihydro-1H-quinoline
CID 84718184
1-amino-1-methyl-2,3-dihydroinden-4-ol
CID 84716941
4-methyl-2,3-dihydrothiochromene-4-thiol
CID 142608887
2-[(3-fluorothiolan-3-yl)methyl]phenol
CID 84723422
2-[1-(dimethylamino)cyclopentyl]phenol
CID 115024209
2-[1-(dimethylamino)cyclohexyl]phenol
CID 115031583
7-iodo-2,2,3,3-tetramethyl-1-benzothiophene
CID 167209132

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol?
The IUPAC name of 4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol (CID 84721000) is 4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol.
What is the SMILES notation for 4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol?
The canonical SMILES for 4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol is CC1(F)CCSc2c(O)cccc21.
What is the InChIKey of 4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol?
The InChIKey is WRCCMMPMCFYTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FOS/c1-10(11)5-6-13-9-7(10)3-2-4-8(9)12/h2-4,12H,5-6H2,1H3.
What are the key properties of 4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol?
4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol has a molecular weight of 198.26 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-2,3-dihydrothiochromen-8-ol is sourced from PubChem (CID 84721000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).