3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine

C10H18FN — CID 166826137

IUPAC3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine
SMILESC=CC(C)(C=C)C(CN)CCF
InChIInChI=1S/C10H18FN/c1-4-10(3,5-2)9(8-12)6-7-11/h4-5,9H,1-2,6-8,12H2,3H3
InChIKeyQQNSXLGUCCIFKQ-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.30
Rot. Bonds6

About 3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine

3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine (PubChem CID 166826137) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine.

Molecular Properties

Compound Name3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine
PubChem CID166826137
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine
SMILESC=CC(C)(C=C)C(CN)CCF
InChIInChI=1S/C10H18FN/c1-4-10(3,5-2)9(8-12)6-7-11/h4-5,9H,1-2,6-8,12H2,3H3
InChIKeyQQNSXLGUCCIFKQ-UHFFFAOYSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine?
The IUPAC name of 3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine (CID 166826137) is 3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine.
What is the SMILES notation for 3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine?
The canonical SMILES for 3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine is C=CC(C)(C=C)C(CN)CCF.
What is the InChIKey of 3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine?
The InChIKey is QQNSXLGUCCIFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-10(3,5-2)9(8-12)6-7-11/h4-5,9H,1-2,6-8,12H2,3H3.
What are the key properties of 3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine?
3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-(2-fluoroethyl)-3-methylpent-4-en-1-amine is sourced from PubChem (CID 166826137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).