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

C8H10F5N3OS — CID 80614343

IUPACN-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(COCC(F)(F)C(F)(F)F)s1
InChIInChI=1S/C8H10F5N3OS/c1-2-14-6-16-15-5(18-6)3-17-4-7(9,10)8(11,12)13/h2-4H2,1H3,(H,14,16)
InChIKeyWJNMJKLEUBMCSO-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.68
Rot. Bonds6

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

N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80614343) has the molecular formula C8H10F5N3OS and a molecular weight of 291.25 g/mol. Its IUPAC name is N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80614343
Molecular FormulaC8H10F5N3OS
Molecular Weight291.25 g/mol
Exact Mass291.05
IUPAC NameN-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(COCC(F)(F)C(F)(F)F)s1
InChIInChI=1S/C8H10F5N3OS/c1-2-14-6-16-15-5(18-6)3-17-4-7(9,10)8(11,12)13/h2-4H2,1H3,(H,14,16)
InChIKeyWJNMJKLEUBMCSO-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.68
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 N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine (CID 80614343) is N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(COCC(F)(F)C(F)(F)F)s1.
What is the InChIKey of N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WJNMJKLEUBMCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5N3OS/c1-2-14-6-16-15-5(18-6)3-17-4-7(9,10)8(11,12)13/h2-4H2,1H3,(H,14,16).
What are the key properties of N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 291.25 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80614343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).