(2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol

C11H13FOS — CID 124681288

IUPAC(2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol
SMILESC[C@H]1SCC[C@]1(O)c1ccccc1F
InChIInChI=1S/C11H13FOS/c1-8-11(13,6-7-14-8)9-4-2-3-5-10(9)12/h2-5,8,13H,6-7H2,1H3/t8-,11-/m1/s1
InChIKeyQXOYBLLKITVZGM-LDYMZIIASA-N
MW212.29 g/mol
LogP2.54
Rot. Bonds1

About (2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol

(2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol (PubChem CID 124681288) has the molecular formula C11H13FOS and a molecular weight of 212.29 g/mol. Its IUPAC name is (2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol
PubChem CID124681288
Molecular FormulaC11H13FOS
Molecular Weight212.29 g/mol
Exact Mass212.07
IUPAC Name(2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol
SMILESC[C@H]1SCC[C@]1(O)c1ccccc1F
InChIInChI=1S/C11H13FOS/c1-8-11(13,6-7-14-8)9-4-2-3-5-10(9)12/h2-5,8,13H,6-7H2,1H3/t8-,11-/m1/s1
InChIKeyQXOYBLLKITVZGM-LDYMZIIASA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxyphenyl)-2-methylthiolan-3-ol
CID 83823248
3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol
CID 114080240
3-(3-bromo-2-fluorophenyl)-2-methylthian-3-ol
CID 106644484
2-methyl-3-naphthalen-1-ylthian-3-ol
CID 79951974
(2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol
CID 124547206
2-methyl-3-pyridin-3-ylthiolan-3-ol
CID 112708905
3-(4-fluoro-3-methylphenyl)-2-methylthian-3-ol
CID 79952551
1-(2,3-difluorophenyl)-2-methylcyclopropan-1-ol
CID 79332533
1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol
CID 64516207
(1R)-1-(2-fluorophenyl)-3,3-dimethylcyclopentan-1-ol
CID 124512737
3-(5-chloro-2-methoxyphenyl)-2-methylthian-3-ol
CID 79952066
1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine
CID 64774969

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol?
The IUPAC name of (2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol (CID 124681288) is (2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol.
What is the SMILES notation for (2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol?
The canonical SMILES for (2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol is C[C@H]1SCC[C@]1(O)c1ccccc1F.
What is the InChIKey of (2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol?
The InChIKey is QXOYBLLKITVZGM-LDYMZIIASA-N. The full InChI is InChI=1S/C11H13FOS/c1-8-11(13,6-7-14-8)9-4-2-3-5-10(9)12/h2-5,8,13H,6-7H2,1H3/t8-,11-/m1/s1.
What are the key properties of (2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol?
(2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol has a molecular weight of 212.29 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol is sourced from PubChem (CID 124681288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).