4-[(2,3-difluorophenyl)methyl]thiolan-3-ol

C11H12F2OS — CID 83190277

IUPAC4-[(2,3-difluorophenyl)methyl]thiolan-3-ol
SMILESOC1CSCC1Cc1cccc(F)c1F
InChIInChI=1S/C11H12F2OS/c12-9-3-1-2-7(11(9)13)4-8-5-15-6-10(8)14/h1-3,8,10,14H,4-6H2
InChIKeyAZPMZQNKCONIEP-UHFFFAOYSA-N
MW230.28 g/mol
LogP2.23
Rot. Bonds2

About 4-[(2,3-difluorophenyl)methyl]thiolan-3-ol

4-[(2,3-difluorophenyl)methyl]thiolan-3-ol (PubChem CID 83190277) has the molecular formula C11H12F2OS and a molecular weight of 230.28 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methyl]thiolan-3-ol.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methyl]thiolan-3-ol
PubChem CID83190277
Molecular FormulaC11H12F2OS
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name4-[(2,3-difluorophenyl)methyl]thiolan-3-ol
SMILESOC1CSCC1Cc1cccc(F)c1F
InChIInChI=1S/C11H12F2OS/c12-9-3-1-2-7(11(9)13)4-8-5-15-6-10(8)14/h1-3,8,10,14H,4-6H2
InChIKeyAZPMZQNKCONIEP-UHFFFAOYSA-N
XLogP2.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2,3-difluorophenyl)methyl]thiolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,3-difluorophenyl)methyl]thiolan-3-amine
CID 83196495
4-[(2,3-difluorophenyl)methyl]thiolan-3-one
CID 83196682
2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine
CID 61381585
3-chloro-4-[(3-chloro-2-fluorophenyl)methyl]thiolane
CID 102858343
2-[(2,3-difluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81009415
[2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 81010182
N-[[2-[(2,3-difluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017651
4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol
CID 107885968
3-chloro-4-[(2-fluoro-3-methoxyphenyl)methyl]thiolane
CID 104794462
3-bromo-4-[(2-fluoro-3-methoxyphenyl)methyl]thiolane
CID 104794463
1,2-difluoro-3-(iodomethyl)benzene
CID 64789130
4-bromo-3-[(2,3-difluorophenyl)methyl]oxane
CID 106471640

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methyl]thiolan-3-ol?
The IUPAC name of 4-[(2,3-difluorophenyl)methyl]thiolan-3-ol (CID 83190277) is 4-[(2,3-difluorophenyl)methyl]thiolan-3-ol.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methyl]thiolan-3-ol?
The canonical SMILES for 4-[(2,3-difluorophenyl)methyl]thiolan-3-ol is OC1CSCC1Cc1cccc(F)c1F.
What is the InChIKey of 4-[(2,3-difluorophenyl)methyl]thiolan-3-ol?
The InChIKey is AZPMZQNKCONIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2OS/c12-9-3-1-2-7(11(9)13)4-8-5-15-6-10(8)14/h1-3,8,10,14H,4-6H2.
What are the key properties of 4-[(2,3-difluorophenyl)methyl]thiolan-3-ol?
4-[(2,3-difluorophenyl)methyl]thiolan-3-ol has a molecular weight of 230.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)methyl]thiolan-3-ol is sourced from PubChem (CID 83190277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).