3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

C10H13F5N2OS — CID 106783796

IUPAC3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNC(CCOCC(F)F)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F5N2OS/c1-16-6(2-3-18-5-8(11)12)7-4-17-9(19-7)10(13,14)15/h4,6,8,16H,2-3,5H2,1H3
InChIKeyHVLGYAKNEMHIJR-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.09
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106783796) has the molecular formula C10H13F5N2OS and a molecular weight of 304.28 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106783796
Molecular FormulaC10H13F5N2OS
Molecular Weight304.28 g/mol
Exact Mass304.07
IUPAC Name3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNC(CCOCC(F)F)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F5N2OS/c1-16-6(2-3-18-5-8(11)12)7-4-17-9(19-7)10(13,14)15/h4,6,8,16H,2-3,5H2,1H3
InChIKeyHVLGYAKNEMHIJR-UHFFFAOYSA-N
XLogP3.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine with MolForge

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Related Compounds

N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106785082
N-methyl-2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783288
3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
CID 103149216
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783793
2-cycloheptyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785844
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785123
4-ethoxy-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106786273
N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783067
2-(2,5-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785616
3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 103149460
3,3-dimethyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783238
3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 103216140

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106783796) is 3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is CNC(CCOCC(F)F)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is HVLGYAKNEMHIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5N2OS/c1-16-6(2-3-18-5-8(11)12)7-4-17-9(19-7)10(13,14)15/h4,6,8,16H,2-3,5H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 304.28 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106783796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).