1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C12H20F3NO2 — CID 103148683

IUPAC1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCNC(CCOCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C12H20F3NO2/c1-2-6-16-10(11-4-3-7-18-11)5-8-17-9-12(13,14)15/h4,10,16H,2-3,5-9H2,1H3
InChIKeyIETSQXUKTUFTFL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.63
Rot. Bonds8

About 1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148683) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148683
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCNC(CCOCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C12H20F3NO2/c1-2-6-16-10(11-4-3-7-18-11)5-8-17-9-12(13,14)15/h4,10,16H,2-3,5-9H2,1H3
InChIKeyIETSQXUKTUFTFL-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148683) is 1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCCNC(CCOCC(F)(F)F)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is IETSQXUKTUFTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-2-6-16-10(11-4-3-7-18-11)5-8-17-9-12(13,14)15/h4,10,16H,2-3,5-9H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 267.29 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).