(E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine

C8H16FN — CID 167121754

IUPAC(E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine
SMILESCC/C(=C\N(C)F)C(C)C
InChIInChI=1S/C8H16FN/c1-5-8(7(2)3)6-10(4)9/h6-7H,5H2,1-4H3/b8-6+
InChIKeyXYUUSRFYRLKOHV-SOFGYWHQSA-N
MW145.22 g/mol
LogP2.75
Rot. Bonds3

About (E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine

(E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine (PubChem CID 167121754) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine
PubChem CID167121754
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine
SMILESCC/C(=C\N(C)F)C(C)C
InChIInChI=1S/C8H16FN/c1-5-8(7(2)3)6-10(4)9/h6-7H,5H2,1-4H3/b8-6+
InChIKeyXYUUSRFYRLKOHV-SOFGYWHQSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine?
The IUPAC name of (E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine (CID 167121754) is (E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine.
What is the SMILES notation for (E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine?
The canonical SMILES for (E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine is CC/C(=C\N(C)F)C(C)C.
What is the InChIKey of (E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine?
The InChIKey is XYUUSRFYRLKOHV-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H16FN/c1-5-8(7(2)3)6-10(4)9/h6-7H,5H2,1-4H3/b8-6+.
What are the key properties of (E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine?
(E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine has a molecular weight of 145.22 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-N-fluoro-N,3-dimethylbut-1-en-1-amine is sourced from PubChem (CID 167121754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).