2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine

C8H12FNO — CID 131222872

IUPAC2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine
SMILESCN(CCF)Cc1ccoc1
InChIInChI=1S/C8H12FNO/c1-10(4-3-9)6-8-2-5-11-7-8/h2,5,7H,3-4,6H2,1H3
InChIKeyOQRLIMWDIFJNOC-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.68
Rot. Bonds4

About 2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine

2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine (PubChem CID 131222872) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine
PubChem CID131222872
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine
SMILESCN(CCF)Cc1ccoc1
InChIInChI=1S/C8H12FNO/c1-10(4-3-9)6-8-2-5-11-7-8/h2,5,7H,3-4,6H2,1H3
InChIKeyOQRLIMWDIFJNOC-UHFFFAOYSA-N
XLogP1.68
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine?
The IUPAC name of 2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine (CID 131222872) is 2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine?
The canonical SMILES for 2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine is CN(CCF)Cc1ccoc1.
What is the InChIKey of 2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine?
The InChIKey is OQRLIMWDIFJNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-10(4-3-9)6-8-2-5-11-7-8/h2,5,7H,3-4,6H2,1H3.
What are the key properties of 2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine?
2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine has a molecular weight of 157.19 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(furan-3-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 131222872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).