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

C9H14F3NO2 — CID 103147992

IUPAC1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-14-5-3-7(13)8-2-1-4-15-8/h2,7H,1,3-6,13H2
InChIKeyKSWRVFRGTHTSTN-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.59
Rot. Bonds5

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

1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103147992) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103147992
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-14-5-3-7(13)8-2-1-4-15-8/h2,7H,1,3-6,13H2
InChIKeyKSWRVFRGTHTSTN-UHFFFAOYSA-N
XLogP1.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.59
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)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103147992) is 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is NC(CCOCC(F)(F)F)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is KSWRVFRGTHTSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)6-14-5-3-7(13)8-2-1-4-15-8/h2,7H,1,3-6,13H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 225.21 g/mol, XLogP of 1.59, 5 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)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103147992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).