3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol

C11H12ClFOS — CID 103047691

IUPAC3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol
SMILESOC1(Cc2cc(Cl)ccc2F)CCSC1
InChIInChI=1S/C11H12ClFOS/c12-9-1-2-10(13)8(5-9)6-11(14)3-4-15-7-11/h1-2,5,14H,3-4,6-7H2
InChIKeyVHOZMORAEXFKJN-UHFFFAOYSA-N
MW246.73 g/mol
LogP2.89
Rot. Bonds2

About 3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol

3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol (PubChem CID 103047691) has the molecular formula C11H12ClFOS and a molecular weight of 246.73 g/mol. Its IUPAC name is 3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol
PubChem CID103047691
Molecular FormulaC11H12ClFOS
Molecular Weight246.73 g/mol
Exact Mass246.03
IUPAC Name3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol
SMILESOC1(Cc2cc(Cl)ccc2F)CCSC1
InChIInChI=1S/C11H12ClFOS/c12-9-1-2-10(13)8(5-9)6-11(14)3-4-15-7-11/h1-2,5,14H,3-4,6-7H2
InChIKeyVHOZMORAEXFKJN-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol?
The IUPAC name of 3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol (CID 103047691) is 3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol.
What is the SMILES notation for 3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol?
The canonical SMILES for 3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol is OC1(Cc2cc(Cl)ccc2F)CCSC1.
What is the InChIKey of 3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol?
The InChIKey is VHOZMORAEXFKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFOS/c12-9-1-2-10(13)8(5-9)6-11(14)3-4-15-7-11/h1-2,5,14H,3-4,6-7H2.
What are the key properties of 3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol?
3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol has a molecular weight of 246.73 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-fluorophenyl)methyl]thiolan-3-ol is sourced from PubChem (CID 103047691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).