4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine

C9H12F3NO2 — CID 43753255

IUPAC4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine
SMILESNCCC(OCc1ccco1)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)8(3-4-13)15-6-7-2-1-5-14-7/h1-2,5,8H,3-4,6,13H2
InChIKeyGDAYISNBUSUELP-UHFFFAOYSA-N
MW223.19 g/mol
LogP2.08
Rot. Bonds5

About 4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine

4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine (PubChem CID 43753255) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine
PubChem CID43753255
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine
SMILESNCCC(OCc1ccco1)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)8(3-4-13)15-6-7-2-1-5-14-7/h1-2,5,8H,3-4,6,13H2
InChIKeyGDAYISNBUSUELP-UHFFFAOYSA-N
XLogP2.08
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine (CID 43753255) is 4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine is NCCC(OCc1ccco1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine?
The InChIKey is GDAYISNBUSUELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c10-9(11,12)8(3-4-13)15-6-7-2-1-5-14-7/h1-2,5,8H,3-4,6,13H2.
What are the key properties of 4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine?
4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine has a molecular weight of 223.19 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(furan-2-ylmethoxy)butan-1-amine is sourced from PubChem (CID 43753255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).