2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine

C10H16FNO — CID 107443514

IUPAC2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)c1ccoc1
InChIInChI=1S/C10H16FNO/c1-7(2)9(5-12)10(11)8-3-4-13-6-8/h3-4,6-7,9-10H,5,12H2,1-2H3
InChIKeyLALGKJHQIFOEPX-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.52
Rot. Bonds4

About 2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine

2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine (PubChem CID 107443514) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine
PubChem CID107443514
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)c1ccoc1
InChIInChI=1S/C10H16FNO/c1-7(2)9(5-12)10(11)8-3-4-13-6-8/h3-4,6-7,9-10H,5,12H2,1-2H3
InChIKeyLALGKJHQIFOEPX-UHFFFAOYSA-N
XLogP2.52
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine (CID 107443514) is 2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine is CC(C)C(CN)C(F)c1ccoc1.
What is the InChIKey of 2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is LALGKJHQIFOEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-7(2)9(5-12)10(11)8-3-4-13-6-8/h3-4,6-7,9-10H,5,12H2,1-2H3.
What are the key properties of 2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine?
2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 185.24 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(furan-3-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).