3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine

C8H12FNO — CID 83815531

IUPAC3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine
SMILESCc1ccc(C(CN)CF)o1
InChIInChI=1S/C8H12FNO/c1-6-2-3-8(11-6)7(4-9)5-10/h2-3,7H,4-5,10H2,1H3
InChIKeyFBNDXCCHLWINJA-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.60
Rot. Bonds3

About 3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine

3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine (PubChem CID 83815531) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine
PubChem CID83815531
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine
SMILESCc1ccc(C(CN)CF)o1
InChIInChI=1S/C8H12FNO/c1-6-2-3-8(11-6)7(4-9)5-10/h2-3,7H,4-5,10H2,1H3
InChIKeyFBNDXCCHLWINJA-UHFFFAOYSA-N
XLogP1.60
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-2-(5-methylfuran-2-yl)propan-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 3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine?
The IUPAC name of 3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine (CID 83815531) is 3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine.
What is the SMILES notation for 3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine?
The canonical SMILES for 3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine is Cc1ccc(C(CN)CF)o1.
What is the InChIKey of 3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine?
The InChIKey is FBNDXCCHLWINJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-6-2-3-8(11-6)7(4-9)5-10/h2-3,7H,4-5,10H2,1H3.
What are the key properties of 3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine?
3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine has a molecular weight of 157.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(5-methylfuran-2-yl)propan-1-amine is sourced from PubChem (CID 83815531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).