4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol

C11H12ClFOS — CID 107885968

IUPAC4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol
SMILESOC1CSCC1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H12ClFOS/c12-9-2-1-7(4-10(9)13)3-8-5-15-6-11(8)14/h1-2,4,8,11,14H,3,5-6H2
InChIKeyOTVUKKQOJVDQCM-UHFFFAOYSA-N
MW246.73 g/mol
LogP2.75
Rot. Bonds2

About 4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol

4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol (PubChem CID 107885968) has the molecular formula C11H12ClFOS and a molecular weight of 246.73 g/mol. Its IUPAC name is 4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol.

Molecular Properties

Compound Name4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol
PubChem CID107885968
Molecular FormulaC11H12ClFOS
Molecular Weight246.73 g/mol
Exact Mass246.03
IUPAC Name4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol
SMILESOC1CSCC1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H12ClFOS/c12-9-2-1-7(4-10(9)13)3-8-5-15-6-11(8)14/h1-2,4,8,11,14H,3,5-6H2
InChIKeyOTVUKKQOJVDQCM-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.73
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-chloro-3-fluorophenyl)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-[(4-chloro-2-fluorophenyl)methyl]thiolan-3-ol
CID 114857897
2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol
CID 107885946
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 107889373
4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol
CID 83190039
1-chloro-4-[(3-chlorocyclopentyl)methyl]-2-fluorobenzene
CID 107888265
4-[(2-bromo-5-ethylcyclohexyl)methyl]-1-chloro-2-fluorobenzene
CID 107897027
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 107889369
[4-tert-butyl-2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 107889301
CID 59280137
CID 59280137
(4-chloro-3-fluorophenyl)methylazanium
CID 7015596
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
3-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-amine
CID 107888146

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol?
The IUPAC name of 4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol (CID 107885968) is 4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol.
What is the SMILES notation for 4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol?
The canonical SMILES for 4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol is OC1CSCC1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol?
The InChIKey is OTVUKKQOJVDQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFOS/c12-9-2-1-7(4-10(9)13)3-8-5-15-6-11(8)14/h1-2,4,8,11,14H,3,5-6H2.
What are the key properties of 4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol?
4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol has a molecular weight of 246.73 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol is sourced from PubChem (CID 107885968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).