1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine

C8H9F6N3S — CID 103311210

IUPAC1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(C(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C8H9F6N3S/c1-2-3(15)5-16-17-6(18-5)4(7(9,10)11)8(12,13)14/h3-4H,2,15H2,1H3
InChIKeyFFDMIVMVELLRPY-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.16
Rot. Bonds3

About 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine

1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 103311210) has the molecular formula C8H9F6N3S and a molecular weight of 293.24 g/mol. Its IUPAC name is 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID103311210
Molecular FormulaC8H9F6N3S
Molecular Weight293.24 g/mol
Exact Mass293.04
IUPAC Name1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(C(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C8H9F6N3S/c1-2-3(15)5-16-17-6(18-5)4(7(9,10)11)8(12,13)14/h3-4H,2,15H2,1H3
InChIKeyFFDMIVMVELLRPY-UHFFFAOYSA-N
XLogP3.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 103311210) is 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is CCC(N)c1nnc(C(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is FFDMIVMVELLRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6N3S/c1-2-3(15)5-16-17-6(18-5)4(7(9,10)11)8(12,13)14/h3-4H,2,15H2,1H3.
What are the key properties of 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine has a molecular weight of 293.24 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 103311210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).