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

C8H9F6N3S — CID 103311208

IUPAC3-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(C(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C8H9F6N3S/c9-7(10,11)5(8(12,13)14)6-17-16-4(18-6)2-1-3-15/h5H,1-3,15H2
InChIKeyMNLNTGZXMMXQIV-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.64
Rot. Bonds4

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

3-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 103311208) has the molecular formula C8H9F6N3S and a molecular weight of 293.24 g/mol. Its IUPAC name is 3-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID103311208
Molecular FormulaC8H9F6N3S
Molecular Weight293.24 g/mol
Exact Mass293.04
IUPAC Name3-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(C(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C8H9F6N3S/c9-7(10,11)5(8(12,13)14)6-17-16-4(18-6)2-1-3-15/h5H,1-3,15H2
InChIKeyMNLNTGZXMMXQIV-UHFFFAOYSA-N
XLogP2.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 103311208) is 3-[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 3-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is NCCCc1nnc(C(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of 3-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is MNLNTGZXMMXQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6N3S/c9-7(10,11)5(8(12,13)14)6-17-16-4(18-6)2-1-3-15/h5H,1-3,15H2.
What are the key properties of 3-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
3-[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 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 103311208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).