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

C6H6F5N3OS — CID 80614548

IUPAC5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COCC(F)(F)C(F)(F)F)s1
InChIInChI=1S/C6H6F5N3OS/c7-5(8,6(9,10)11)2-15-1-3-13-14-4(12)16-3/h1-2H2,(H2,12,14)
InChIKeyRIVVNHOKLNHNBJ-UHFFFAOYSA-N
MW263.19 g/mol
LogP1.83
Rot. Bonds4

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

5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80614548) has the molecular formula C6H6F5N3OS and a molecular weight of 263.19 g/mol. Its IUPAC name is 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80614548
Molecular FormulaC6H6F5N3OS
Molecular Weight263.19 g/mol
Exact Mass263.02
IUPAC Name5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COCC(F)(F)C(F)(F)F)s1
InChIInChI=1S/C6H6F5N3OS/c7-5(8,6(9,10)11)2-15-1-3-13-14-4(12)16-3/h1-2H2,(H2,12,14)
InChIKeyRIVVNHOKLNHNBJ-UHFFFAOYSA-N
XLogP1.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 51.83
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-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine (CID 80614548) is 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(COCC(F)(F)C(F)(F)F)s1.
What is the InChIKey of 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is RIVVNHOKLNHNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5N3OS/c7-5(8,6(9,10)11)2-15-1-3-13-14-4(12)16-3/h1-2H2,(H2,12,14).
What are the key properties of 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine?
5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 263.19 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80614548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).