4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine

C10H15F2NO2 — CID 103149003

IUPAC4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine
SMILESNC(CCOCC(F)F)Cc1ccoc1
InChIInChI=1S/C10H15F2NO2/c11-10(12)7-15-4-2-9(13)5-8-1-3-14-6-8/h1,3,6,9-10H,2,4-5,7,13H2
InChIKeyQYZGJHLKSMYFRF-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.82
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine

4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine (PubChem CID 103149003) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine
PubChem CID103149003
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine
SMILESNC(CCOCC(F)F)Cc1ccoc1
InChIInChI=1S/C10H15F2NO2/c11-10(12)7-15-4-2-9(13)5-8-1-3-14-6-8/h1,3,6,9-10H,2,4-5,7,13H2
InChIKeyQYZGJHLKSMYFRF-UHFFFAOYSA-N
XLogP1.82
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.82
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 4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine (CID 103149003) is 4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine is NC(CCOCC(F)F)Cc1ccoc1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine?
The InChIKey is QYZGJHLKSMYFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-10(12)7-15-4-2-9(13)5-8-1-3-14-6-8/h1,3,6,9-10H,2,4-5,7,13H2.
What are the key properties of 4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine?
4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine has a molecular weight of 219.23 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-amine is sourced from PubChem (CID 103149003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).