(2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine

C8H14FN — CID 139386354

IUPAC(2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine
SMILESC=C(C)/C(F)=C(/C)N(C)C
InChIInChI=1S/C8H14FN/c1-6(2)8(9)7(3)10(4)5/h1H2,2-5H3/b8-7+
InChIKeyDXYXTNMZYJWXRO-BQYQJAHWSA-N
MW143.20 g/mol
LogP2.33
Rot. Bonds2

About (2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine

(2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine (PubChem CID 139386354) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine
PubChem CID139386354
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine
SMILESC=C(C)/C(F)=C(/C)N(C)C
InChIInChI=1S/C8H14FN/c1-6(2)8(9)7(3)10(4)5/h1H2,2-5H3/b8-7+
InChIKeyDXYXTNMZYJWXRO-BQYQJAHWSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine (CID 139386354) is (2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine is C=C(C)/C(F)=C(/C)N(C)C.
What is the InChIKey of (2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine?
The InChIKey is DXYXTNMZYJWXRO-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H14FN/c1-6(2)8(9)7(3)10(4)5/h1H2,2-5H3/b8-7+.
What are the key properties of (2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine?
(2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine has a molecular weight of 143.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine is sourced from PubChem (CID 139386354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).