(2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine

C8H12FN — CID 88590092

IUPAC(2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine
SMILESC=C(F)/C=C\C=C(/C)CN
InChIInChI=1S/C8H12FN/c1-7(6-10)4-3-5-8(2)9/h3-5H,2,6,10H2,1H3/b5-3-,7-4+
InChIKeyVUDADPRUHNQCTJ-XKSOLRDRSA-N
MW141.19 g/mol
LogP1.93
Rot. Bonds3

About (2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine

(2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine (PubChem CID 88590092) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine
PubChem CID88590092
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine
SMILESC=C(F)/C=C\C=C(/C)CN
InChIInChI=1S/C8H12FN/c1-7(6-10)4-3-5-8(2)9/h3-5H,2,6,10H2,1H3/b5-3-,7-4+
InChIKeyVUDADPRUHNQCTJ-XKSOLRDRSA-N
XLogP1.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.93
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,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine (CID 88590092) is (2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine is C=C(F)/C=C\C=C(/C)CN.
What is the InChIKey of (2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine?
The InChIKey is VUDADPRUHNQCTJ-XKSOLRDRSA-N. The full InChI is InChI=1S/C8H12FN/c1-7(6-10)4-3-5-8(2)9/h3-5H,2,6,10H2,1H3/b5-3-,7-4+.
What are the key properties of (2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine?
(2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 88590092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).