5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine

C6H7F4N3OS — CID 80608035

IUPAC5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C6H7F4N3OS/c7-4(8)6(9,10)2-14-1-3-12-13-5(11)15-3/h4H,1-2H2,(H2,11,13)
InChIKeyLKHBODHICHLYAO-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.54
Rot. Bonds5

About 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine

5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80608035) has the molecular formula C6H7F4N3OS and a molecular weight of 245.20 g/mol. Its IUPAC name is 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80608035
Molecular FormulaC6H7F4N3OS
Molecular Weight245.20 g/mol
Exact Mass245.02
IUPAC Name5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C6H7F4N3OS/c7-4(8)6(9,10)2-14-1-3-12-13-5(11)15-3/h4H,1-2H2,(H2,11,13)
InChIKeyLKHBODHICHLYAO-UHFFFAOYSA-N
XLogP1.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine (CID 80608035) is 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(COCC(F)(F)C(F)F)s1.
What is the InChIKey of 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LKHBODHICHLYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N3OS/c7-4(8)6(9,10)2-14-1-3-12-13-5(11)15-3/h4H,1-2H2,(H2,11,13).
What are the key properties of 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine?
5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 245.20 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).