2-[(3-fluorothiolan-3-yl)methyl]phenol

C11H13FOS — CID 84723422

IUPAC2-[(3-fluorothiolan-3-yl)methyl]phenol
SMILESOc1ccccc1CC1(F)CCSC1
InChIInChI=1S/C11H13FOS/c12-11(5-6-14-8-11)7-9-3-1-2-4-10(9)13/h1-4,13H,5-8H2
InChIKeyXGQCXQICWZCPQQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.78
Rot. Bonds2

About 2-[(3-fluorothiolan-3-yl)methyl]phenol

2-[(3-fluorothiolan-3-yl)methyl]phenol (PubChem CID 84723422) has the molecular formula C11H13FOS and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(3-fluorothiolan-3-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(3-fluorothiolan-3-yl)methyl]phenol
PubChem CID84723422
Molecular FormulaC11H13FOS
Molecular Weight212.29 g/mol
Exact Mass212.07
IUPAC Name2-[(3-fluorothiolan-3-yl)methyl]phenol
SMILESOc1ccccc1CC1(F)CCSC1
InChIInChI=1S/C11H13FOS/c12-11(5-6-14-8-11)7-9-3-1-2-4-10(9)13/h1-4,13H,5-8H2
InChIKeyXGQCXQICWZCPQQ-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorothiolan-3-yl)methyl]phenol?
The IUPAC name of 2-[(3-fluorothiolan-3-yl)methyl]phenol (CID 84723422) is 2-[(3-fluorothiolan-3-yl)methyl]phenol.
What is the SMILES notation for 2-[(3-fluorothiolan-3-yl)methyl]phenol?
The canonical SMILES for 2-[(3-fluorothiolan-3-yl)methyl]phenol is Oc1ccccc1CC1(F)CCSC1.
What is the InChIKey of 2-[(3-fluorothiolan-3-yl)methyl]phenol?
The InChIKey is XGQCXQICWZCPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FOS/c12-11(5-6-14-8-11)7-9-3-1-2-4-10(9)13/h1-4,13H,5-8H2.
What are the key properties of 2-[(3-fluorothiolan-3-yl)methyl]phenol?
2-[(3-fluorothiolan-3-yl)methyl]phenol has a molecular weight of 212.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorothiolan-3-yl)methyl]phenol is sourced from PubChem (CID 84723422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).