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

C10H16F3NO2 — CID 103148264

IUPAC1-(2,3-dihydrofuran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C10H16F3NO2/c1-14-8(9-3-2-5-16-9)4-6-15-7-10(11,12)13/h3,8,14H,2,4-7H2,1H3
InChIKeyXOTBDTSHKBSOMH-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.85
Rot. Bonds6

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

1-(2,3-dihydrofuran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148264) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148264
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)C1=CCCO1
InChIInChI=1S/C10H16F3NO2/c1-14-8(9-3-2-5-16-9)4-6-15-7-10(11,12)13/h3,8,14H,2,4-7H2,1H3
InChIKeyXOTBDTSHKBSOMH-UHFFFAOYSA-N
XLogP1.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.85
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-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148264) is 1-(2,3-dihydrofuran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CNC(CCOCC(F)(F)F)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is XOTBDTSHKBSOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-14-8(9-3-2-5-16-9)4-6-15-7-10(11,12)13/h3,8,14H,2,4-7H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(2,3-dihydrofuran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 239.24 g/mol, XLogP of 1.85, 6 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-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).