3-fluoro-N-(furan-3-ylmethyl)propan-1-amine

C8H12FNO — CID 115733070

IUPAC3-fluoro-N-(furan-3-ylmethyl)propan-1-amine
SMILESFCCCNCc1ccoc1
InChIInChI=1S/C8H12FNO/c9-3-1-4-10-6-8-2-5-11-7-8/h2,5,7,10H,1,3-4,6H2
InChIKeyJRNVDVFEGYJEHR-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.73
Rot. Bonds5

About 3-fluoro-N-(furan-3-ylmethyl)propan-1-amine

3-fluoro-N-(furan-3-ylmethyl)propan-1-amine (PubChem CID 115733070) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-fluoro-N-(furan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-(furan-3-ylmethyl)propan-1-amine
PubChem CID115733070
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name3-fluoro-N-(furan-3-ylmethyl)propan-1-amine
SMILESFCCCNCc1ccoc1
InChIInChI=1S/C8H12FNO/c9-3-1-4-10-6-8-2-5-11-7-8/h2,5,7,10H,1,3-4,6H2
InChIKeyJRNVDVFEGYJEHR-UHFFFAOYSA-N
XLogP1.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-N-(furan-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-fluoro-N-(furan-3-ylmethyl)propan-1-amine (CID 115733070) is 3-fluoro-N-(furan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-fluoro-N-(furan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-fluoro-N-(furan-3-ylmethyl)propan-1-amine is FCCCNCc1ccoc1.
What is the InChIKey of 3-fluoro-N-(furan-3-ylmethyl)propan-1-amine?
The InChIKey is JRNVDVFEGYJEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c9-3-1-4-10-6-8-2-5-11-7-8/h2,5,7,10H,1,3-4,6H2.
What are the key properties of 3-fluoro-N-(furan-3-ylmethyl)propan-1-amine?
3-fluoro-N-(furan-3-ylmethyl)propan-1-amine has a molecular weight of 157.19 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(furan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 115733070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).