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

C10H14F3NO2 — CID 103148110

IUPAC1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESNC(CCOCC(F)(F)F)Cc1ccoc1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)7-16-4-2-9(14)5-8-1-3-15-6-8/h1,3,6,9H,2,4-5,7,14H2
InChIKeyLDHFFQRWLUEFEH-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.12
Rot. Bonds6

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

1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 103148110) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID103148110
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESNC(CCOCC(F)(F)F)Cc1ccoc1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)7-16-4-2-9(14)5-8-1-3-15-6-8/h1,3,6,9H,2,4-5,7,14H2
InChIKeyLDHFFQRWLUEFEH-UHFFFAOYSA-N
XLogP2.12
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.12
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-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 103148110) is 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine is NC(CCOCC(F)(F)F)Cc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is LDHFFQRWLUEFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c11-10(12,13)7-16-4-2-9(14)5-8-1-3-15-6-8/h1,3,6,9H,2,4-5,7,14H2.
What are the key properties of 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 237.22 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).