[3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol

C12H16FNOS — CID 79950058

IUPAC[3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol
SMILESCC1CC(CO)(Nc2ccccc2F)CS1
InChIInChI=1S/C12H16FNOS/c1-9-6-12(7-15,8-16-9)14-11-5-3-2-4-10(11)13/h2-5,9,14-15H,6-8H2,1H3
InChIKeySRFUPLASBIORSH-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.49
Rot. Bonds3

About [3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol

[3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol (PubChem CID 79950058) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is [3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol
PubChem CID79950058
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name[3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol
SMILESCC1CC(CO)(Nc2ccccc2F)CS1
InChIInChI=1S/C12H16FNOS/c1-9-6-12(7-15,8-16-9)14-11-5-3-2-4-10(11)13/h2-5,9,14-15H,6-8H2,1H3
InChIKeySRFUPLASBIORSH-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol?
The IUPAC name of [3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol (CID 79950058) is [3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol.
What is the SMILES notation for [3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol?
The canonical SMILES for [3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol is CC1CC(CO)(Nc2ccccc2F)CS1.
What is the InChIKey of [3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol?
The InChIKey is SRFUPLASBIORSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-9-6-12(7-15,8-16-9)14-11-5-3-2-4-10(11)13/h2-5,9,14-15H,6-8H2,1H3.
What are the key properties of [3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol?
[3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol has a molecular weight of 241.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol is sourced from PubChem (CID 79950058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).