2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine

C7H11F2N3OS — CID 103083073

IUPAC2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESFC(F)COCCNCc1csnn1
InChIInChI=1S/C7H11F2N3OS/c8-7(9)4-13-2-1-10-3-6-5-14-12-11-6/h5,7,10H,1-4H2
InChIKeyIMFXICWLEJDAHC-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.91
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine

2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 103083073) has the molecular formula C7H11F2N3OS and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID103083073
Molecular FormulaC7H11F2N3OS
Molecular Weight223.25 g/mol
Exact Mass223.06
IUPAC Name2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESFC(F)COCCNCc1csnn1
InChIInChI=1S/C7H11F2N3OS/c8-7(9)4-13-2-1-10-3-6-5-14-12-11-6/h5,7,10H,1-4H2
InChIKeyIMFXICWLEJDAHC-UHFFFAOYSA-N
XLogP0.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine (CID 103083073) is 2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine is FC(F)COCCNCc1csnn1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is IMFXICWLEJDAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3OS/c8-7(9)4-13-2-1-10-3-6-5-14-12-11-6/h5,7,10H,1-4H2.
What are the key properties of 2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine?
2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 223.25 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 103083073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).