[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol

C6H7F3N2O2S — CID 80619865

IUPAC[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESCC(Oc1nnc(CO)s1)C(F)(F)F
InChIInChI=1S/C6H7F3N2O2S/c1-3(6(7,8)9)13-5-11-10-4(2-12)14-5/h3,12H,2H2,1H3
InChIKeyMFWNPRWHKWAFRK-UHFFFAOYSA-N
MW228.19 g/mol
LogP1.36
Rot. Bonds3

About [5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol

[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 80619865) has the molecular formula C6H7F3N2O2S and a molecular weight of 228.19 g/mol. Its IUPAC name is [5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol
PubChem CID80619865
Molecular FormulaC6H7F3N2O2S
Molecular Weight228.19 g/mol
Exact Mass228.02
IUPAC Name[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESCC(Oc1nnc(CO)s1)C(F)(F)F
InChIInChI=1S/C6H7F3N2O2S/c1-3(6(7,8)9)13-5-11-10-4(2-12)14-5/h3,12H,2H2,1H3
InChIKeyMFWNPRWHKWAFRK-UHFFFAOYSA-N
XLogP1.36
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol (CID 80619865) is [5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol is CC(Oc1nnc(CO)s1)C(F)(F)F.
What is the InChIKey of [5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is MFWNPRWHKWAFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2S/c1-3(6(7,8)9)13-5-11-10-4(2-12)14-5/h3,12H,2H2,1H3.
What are the key properties of [5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol?
[5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 228.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1,1-trifluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 80619865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).