N-ethyl-3-fluorobut-1-en-2-amine

C₆H₁₂FN — CID 170019433

About N-ethyl-3-fluorobut-1-en-2-amine

N-ethyl-3-fluorobut-1-en-2-amine (PubChem CID 170019433) has the molecular formula C₆H₁₂FN and a molecular weight of 117.17 g/mol. Its IUPAC name is N-ethyl-3-fluorobut-1-en-2-amine.

Molecular Properties

• Compound Name: N-ethyl-3-fluorobut-1-en-2-amine
• PubChem CID: 170019433
• Molecular Formula: C₆H₁₂FN
• Molecular Weight: 117.17 g/mol
• Exact Mass: 117.10
• IUPAC Name: N-ethyl-3-fluorobut-1-en-2-amine
• SMILES: C=C(NCC)C(C)F
• InChI: InChI=1S/C6H12FN/c1-4-8-6(3)5(2)7/h5,8H,3-4H2,1-2H3
• InChIKey: PLDPCTYKLNUSHJ-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	117.17
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluorobut-1-en-2-amine?

The IUPAC name of N-ethyl-3-fluorobut-1-en-2-amine (CID 170019433) is N-ethyl-3-fluorobut-1-en-2-amine.

What is the SMILES notation for N-ethyl-3-fluorobut-1-en-2-amine?

The canonical SMILES for N-ethyl-3-fluorobut-1-en-2-amine is C=C(NCC)C(C)F.

What is the InChIKey of N-ethyl-3-fluorobut-1-en-2-amine?

The InChIKey is PLDPCTYKLNUSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-4-8-6(3)5(2)7/h5,8H,3-4H2,1-2H3.

What are the key properties of N-ethyl-3-fluorobut-1-en-2-amine?

N-ethyl-3-fluorobut-1-en-2-amine has a molecular weight of 117.17 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3-fluorobut-1-en-2-amine is sourced from PubChem (CID 170019433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170019433 — identifiers, structure, computed properties (public domain)

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