2-ethyl-2-fluoropent-3-yn-1-amine

C7H12FN — CID 130515861

IUPAC2-ethyl-2-fluoropent-3-yn-1-amine
SMILESCC#CC(F)(CC)CN
InChIInChI=1S/C7H12FN/c1-3-5-7(8,4-2)6-9/h4,6,9H2,1-2H3
InChIKeyLUWQJVASMQPIIM-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.09
Rot. Bonds2

About 2-ethyl-2-fluoropent-3-yn-1-amine

2-ethyl-2-fluoropent-3-yn-1-amine (PubChem CID 130515861) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-ethyl-2-fluoropent-3-yn-1-amine.

Molecular Properties

Compound Name2-ethyl-2-fluoropent-3-yn-1-amine
PubChem CID130515861
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name2-ethyl-2-fluoropent-3-yn-1-amine
SMILESCC#CC(F)(CC)CN
InChIInChI=1S/C7H12FN/c1-3-5-7(8,4-2)6-9/h4,6,9H2,1-2H3
InChIKeyLUWQJVASMQPIIM-UHFFFAOYSA-N
XLogP1.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-fluoropent-3-yn-1-amine?
The IUPAC name of 2-ethyl-2-fluoropent-3-yn-1-amine (CID 130515861) is 2-ethyl-2-fluoropent-3-yn-1-amine.
What is the SMILES notation for 2-ethyl-2-fluoropent-3-yn-1-amine?
The canonical SMILES for 2-ethyl-2-fluoropent-3-yn-1-amine is CC#CC(F)(CC)CN.
What is the InChIKey of 2-ethyl-2-fluoropent-3-yn-1-amine?
The InChIKey is LUWQJVASMQPIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-5-7(8,4-2)6-9/h4,6,9H2,1-2H3.
What are the key properties of 2-ethyl-2-fluoropent-3-yn-1-amine?
2-ethyl-2-fluoropent-3-yn-1-amine has a molecular weight of 129.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluoropent-3-yn-1-amine is sourced from PubChem (CID 130515861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).