[3-(3-fluoroanilino)thiolan-3-yl]methanol

C11H14FNOS — CID 61048094

IUPAC[3-(3-fluoroanilino)thiolan-3-yl]methanol
SMILESOCC1(Nc2cccc(F)c2)CCSC1
InChIInChI=1S/C11H14FNOS/c12-9-2-1-3-10(6-9)13-11(7-14)4-5-15-8-11/h1-3,6,13-14H,4-5,7-8H2
InChIKeyTWWPOBOIUIFHRN-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.11
Rot. Bonds3

About [3-(3-fluoroanilino)thiolan-3-yl]methanol

[3-(3-fluoroanilino)thiolan-3-yl]methanol (PubChem CID 61048094) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is [3-(3-fluoroanilino)thiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-fluoroanilino)thiolan-3-yl]methanol
PubChem CID61048094
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name[3-(3-fluoroanilino)thiolan-3-yl]methanol
SMILESOCC1(Nc2cccc(F)c2)CCSC1
InChIInChI=1S/C11H14FNOS/c12-9-2-1-3-10(6-9)13-11(7-14)4-5-15-8-11/h1-3,6,13-14H,4-5,7-8H2
InChIKeyTWWPOBOIUIFHRN-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoroanilino)thiolan-3-yl]methanol?
The IUPAC name of [3-(3-fluoroanilino)thiolan-3-yl]methanol (CID 61048094) is [3-(3-fluoroanilino)thiolan-3-yl]methanol.
What is the SMILES notation for [3-(3-fluoroanilino)thiolan-3-yl]methanol?
The canonical SMILES for [3-(3-fluoroanilino)thiolan-3-yl]methanol is OCC1(Nc2cccc(F)c2)CCSC1.
What is the InChIKey of [3-(3-fluoroanilino)thiolan-3-yl]methanol?
The InChIKey is TWWPOBOIUIFHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c12-9-2-1-3-10(6-9)13-11(7-14)4-5-15-8-11/h1-3,6,13-14H,4-5,7-8H2.
What are the key properties of [3-(3-fluoroanilino)thiolan-3-yl]methanol?
[3-(3-fluoroanilino)thiolan-3-yl]methanol has a molecular weight of 227.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoroanilino)thiolan-3-yl]methanol is sourced from PubChem (CID 61048094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).