(1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine

C7H12FN — CID 146341385

IUPAC(1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine
SMILESCC/C(F)=C\C(C)=C/N
InChIInChI=1S/C7H12FN/c1-3-7(8)4-6(2)5-9/h4-5H,3,9H2,1-2H3/b6-5-,7-4+
InChIKeyIVYQMNCAZRSSRF-IUQJDUBZSA-N
MW129.18 g/mol
LogP2.11
Rot. Bonds2

About (1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine

(1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine (PubChem CID 146341385) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine
PubChem CID146341385
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine
SMILESCC/C(F)=C\C(C)=C/N
InChIInChI=1S/C7H12FN/c1-3-7(8)4-6(2)5-9/h4-5H,3,9H2,1-2H3/b6-5-,7-4+
InChIKeyIVYQMNCAZRSSRF-IUQJDUBZSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.11
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 (1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine (CID 146341385) is (1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine is CC/C(F)=C\C(C)=C/N.
What is the InChIKey of (1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine?
The InChIKey is IVYQMNCAZRSSRF-IUQJDUBZSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-7(8)4-6(2)5-9/h4-5H,3,9H2,1-2H3/b6-5-,7-4+.
What are the key properties of (1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine?
(1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine has a molecular weight of 129.18 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-fluoro-2-methylhexa-1,3-dien-1-amine is sourced from PubChem (CID 146341385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).