[5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol

C9H6ClFN2O2S — CID 80618555

IUPAC[5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESOCc1nnc(Oc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C9H6ClFN2O2S/c10-6-3-5(1-2-7(6)11)15-9-13-12-8(4-14)16-9/h1-3,14H,4H2
InChIKeyHQRVZQASFBACQA-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.62
Rot. Bonds3

About [5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol

[5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 80618555) has the molecular formula C9H6ClFN2O2S and a molecular weight of 260.68 g/mol. Its IUPAC name is [5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
PubChem CID80618555
Molecular FormulaC9H6ClFN2O2S
Molecular Weight260.68 g/mol
Exact Mass259.98
IUPAC Name[5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESOCc1nnc(Oc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C9H6ClFN2O2S/c10-6-3-5(1-2-7(6)11)15-9-13-12-8(4-14)16-9/h1-3,14H,4H2
InChIKeyHQRVZQASFBACQA-UHFFFAOYSA-N
XLogP2.62
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol (CID 80618555) is [5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol is OCc1nnc(Oc2ccc(F)c(Cl)c2)s1.
What is the InChIKey of [5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is HQRVZQASFBACQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O2S/c10-6-3-5(1-2-7(6)11)15-9-13-12-8(4-14)16-9/h1-3,14H,4H2.
What are the key properties of [5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol?
[5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 260.68 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 80618555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).