3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol

C7H6FNOS — CID 68606783

IUPAC3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(CF)n1
InChIInChI=1S/C7H6FNOS/c8-4-7-9-6(5-11-7)2-1-3-10/h5,10H,3-4H2
InChIKeyQDHBRZGBJSBXAR-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.96
Rot. Bonds1

About 3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol

3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol (PubChem CID 68606783) has the molecular formula C7H6FNOS and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol
PubChem CID68606783
Molecular FormulaC7H6FNOS
Molecular Weight171.20 g/mol
Exact Mass171.02
IUPAC Name3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(CF)n1
InChIInChI=1S/C7H6FNOS/c8-4-7-9-6(5-11-7)2-1-3-10/h5,10H,3-4H2
InChIKeyQDHBRZGBJSBXAR-UHFFFAOYSA-N
XLogP0.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol (CID 68606783) is 3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol is OCC#Cc1csc(CF)n1.
What is the InChIKey of 3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol?
The InChIKey is QDHBRZGBJSBXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNOS/c8-4-7-9-6(5-11-7)2-1-3-10/h5,10H,3-4H2.
What are the key properties of 3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol?
3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol has a molecular weight of 171.20 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(fluoromethyl)-1,3-thiazol-4-yl]prop-2-yn-1-ol is sourced from PubChem (CID 68606783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).