2-(4-fluoroanilino)-2-thiophen-3-ylethanol

C12H12FNOS — CID 61050355

IUPAC2-(4-fluoroanilino)-2-thiophen-3-ylethanol
SMILESOCC(Nc1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C12H12FNOS/c13-10-1-3-11(4-2-10)14-12(7-15)9-5-6-16-8-9/h1-6,8,12,14-15H,7H2
InChIKeyUVRQOLVKEZYXRZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.03
Rot. Bonds4

About 2-(4-fluoroanilino)-2-thiophen-3-ylethanol

2-(4-fluoroanilino)-2-thiophen-3-ylethanol (PubChem CID 61050355) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-thiophen-3-ylethanol
PubChem CID61050355
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name2-(4-fluoroanilino)-2-thiophen-3-ylethanol
SMILESOCC(Nc1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C12H12FNOS/c13-10-1-3-11(4-2-10)14-12(7-15)9-5-6-16-8-9/h1-6,8,12,14-15H,7H2
InChIKeyUVRQOLVKEZYXRZ-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-thiophen-3-ylethanol?
The IUPAC name of 2-(4-fluoroanilino)-2-thiophen-3-ylethanol (CID 61050355) is 2-(4-fluoroanilino)-2-thiophen-3-ylethanol.
What is the SMILES notation for 2-(4-fluoroanilino)-2-thiophen-3-ylethanol?
The canonical SMILES for 2-(4-fluoroanilino)-2-thiophen-3-ylethanol is OCC(Nc1ccc(F)cc1)c1ccsc1.
What is the InChIKey of 2-(4-fluoroanilino)-2-thiophen-3-ylethanol?
The InChIKey is UVRQOLVKEZYXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c13-10-1-3-11(4-2-10)14-12(7-15)9-5-6-16-8-9/h1-6,8,12,14-15H,7H2.
What are the key properties of 2-(4-fluoroanilino)-2-thiophen-3-ylethanol?
2-(4-fluoroanilino)-2-thiophen-3-ylethanol has a molecular weight of 237.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-2-thiophen-3-ylethanol is sourced from PubChem (CID 61050355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).