[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine

C8H10F4N2OS — CID 103476022

IUPAC[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C8H10F4N2OS/c9-7(10)8(11,12)4-15-3-6-14-2-5(1-13)16-6/h2,7H,1,3-4,13H2
InChIKeyDGDWAUUEMHLPLX-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.02
Rot. Bonds6

About [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine

[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 103476022) has the molecular formula C8H10F4N2OS and a molecular weight of 258.24 g/mol. Its IUPAC name is [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID103476022
Molecular FormulaC8H10F4N2OS
Molecular Weight258.24 g/mol
Exact Mass258.04
IUPAC Name[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C8H10F4N2OS/c9-7(10)8(11,12)4-15-3-6-14-2-5(1-13)16-6/h2,7H,1,3-4,13H2
InChIKeyDGDWAUUEMHLPLX-UHFFFAOYSA-N
XLogP2.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 103476022) is [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(COCC(F)(F)C(F)F)s1.
What is the InChIKey of [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is DGDWAUUEMHLPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N2OS/c9-7(10)8(11,12)4-15-3-6-14-2-5(1-13)16-6/h2,7H,1,3-4,13H2.
What are the key properties of [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 258.24 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103476022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).