4-(3-fluorothian-3-yl)phenol

C11H13FOS — CID 105466040

IUPAC4-(3-fluorothian-3-yl)phenol
SMILESOc1ccc(C2(F)CCCSC2)cc1
InChIInChI=1S/C11H13FOS/c12-11(6-1-7-14-8-11)9-2-4-10(13)5-3-9/h2-5,13H,1,6-8H2
InChIKeyCZWGDGZYCKRWGI-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.08
Rot. Bonds1

About 4-(3-fluorothian-3-yl)phenol

4-(3-fluorothian-3-yl)phenol (PubChem CID 105466040) has the molecular formula C11H13FOS and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(3-fluorothian-3-yl)phenol.

Molecular Properties

Compound Name4-(3-fluorothian-3-yl)phenol
PubChem CID105466040
Molecular FormulaC11H13FOS
Molecular Weight212.29 g/mol
Exact Mass212.07
IUPAC Name4-(3-fluorothian-3-yl)phenol
SMILESOc1ccc(C2(F)CCCSC2)cc1
InChIInChI=1S/C11H13FOS/c12-11(6-1-7-14-8-11)9-2-4-10(13)5-3-9/h2-5,13H,1,6-8H2
InChIKeyCZWGDGZYCKRWGI-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorothian-3-yl)phenol?
The IUPAC name of 4-(3-fluorothian-3-yl)phenol (CID 105466040) is 4-(3-fluorothian-3-yl)phenol.
What is the SMILES notation for 4-(3-fluorothian-3-yl)phenol?
The canonical SMILES for 4-(3-fluorothian-3-yl)phenol is Oc1ccc(C2(F)CCCSC2)cc1.
What is the InChIKey of 4-(3-fluorothian-3-yl)phenol?
The InChIKey is CZWGDGZYCKRWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FOS/c12-11(6-1-7-14-8-11)9-2-4-10(13)5-3-9/h2-5,13H,1,6-8H2.
What are the key properties of 4-(3-fluorothian-3-yl)phenol?
4-(3-fluorothian-3-yl)phenol has a molecular weight of 212.29 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorothian-3-yl)phenol is sourced from PubChem (CID 105466040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).