(2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine

C8H14FN — CID 137386081

IUPAC(2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine
SMILESCC/C(C)=C(F)\C=C(/C)N
InChIInChI=1S/C8H14FN/c1-4-6(2)8(9)5-7(3)10/h5H,4,10H2,1-3H3/b7-5+,8-6+
InChIKeyLTPBIEIABKFMPU-KQQUZDAGSA-N
MW143.20 g/mol
LogP2.50
Rot. Bonds2

About (2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine

(2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine (PubChem CID 137386081) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine
PubChem CID137386081
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine
SMILESCC/C(C)=C(F)\C=C(/C)N
InChIInChI=1S/C8H14FN/c1-4-6(2)8(9)5-7(3)10/h5H,4,10H2,1-3H3/b7-5+,8-6+
InChIKeyLTPBIEIABKFMPU-KQQUZDAGSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
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,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine (CID 137386081) is (2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine is CC/C(C)=C(F)\C=C(/C)N.
What is the InChIKey of (2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine?
The InChIKey is LTPBIEIABKFMPU-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H14FN/c1-4-6(2)8(9)5-7(3)10/h5H,4,10H2,1-3H3/b7-5+,8-6+.
What are the key properties of (2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine?
(2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine has a molecular weight of 143.20 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine is sourced from PubChem (CID 137386081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).