(2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine

C8H14FNO — CID 143282299

IUPAC(2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine
SMILESCC/C=C(N)\C=C/COCF
InChIInChI=1S/C8H14FNO/c1-2-4-8(10)5-3-6-11-7-9/h3-5H,2,6-7,10H2,1H3/b5-3-,8-4+
InChIKeyKQIZHVPVKZOMEG-VOGDQUTBSA-N
MW159.20 g/mol
LogP1.74
Rot. Bonds5

About (2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine

(2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine (PubChem CID 143282299) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine
PubChem CID143282299
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine
SMILESCC/C=C(N)\C=C/COCF
InChIInChI=1S/C8H14FNO/c1-2-4-8(10)5-3-6-11-7-9/h3-5H,2,6-7,10H2,1H3/b5-3-,8-4+
InChIKeyKQIZHVPVKZOMEG-VOGDQUTBSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine?
The IUPAC name of (2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine (CID 143282299) is (2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine?
The canonical SMILES for (2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine is CC/C=C(N)\C=C/COCF.
What is the InChIKey of (2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine?
The InChIKey is KQIZHVPVKZOMEG-VOGDQUTBSA-N. The full InChI is InChI=1S/C8H14FNO/c1-2-4-8(10)5-3-6-11-7-9/h3-5H,2,6-7,10H2,1H3/b5-3-,8-4+.
What are the key properties of (2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine?
(2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine has a molecular weight of 159.20 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-1-(fluoromethoxy)hepta-2,4-dien-4-amine is sourced from PubChem (CID 143282299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).