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

C9H15F2NO2 — CID 103148847

IUPAC3-(2,2-difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1=CCCO1
InChIInChI=1S/C9H15F2NO2/c10-9(11)6-13-5-3-7(12)8-2-1-4-14-8/h2,7,9H,1,3-6,12H2
InChIKeyIKZQBUSVEWWTNH-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.29
Rot. Bonds6

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

3-(2,2-difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine (PubChem CID 103148847) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine
PubChem CID103148847
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name3-(2,2-difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1=CCCO1
InChIInChI=1S/C9H15F2NO2/c10-9(11)6-13-5-3-7(12)8-2-1-4-14-8/h2,7,9H,1,3-6,12H2
InChIKeyIKZQBUSVEWWTNH-UHFFFAOYSA-N
XLogP1.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.29
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 3-(2,2-difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine (CID 103148847) is 3-(2,2-difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine is NC(CCOCC(F)F)C1=CCCO1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine?
The InChIKey is IKZQBUSVEWWTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-9(11)6-13-5-3-7(12)8-2-1-4-14-8/h2,7,9H,1,3-6,12H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine has a molecular weight of 207.22 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine is sourced from PubChem (CID 103148847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).