(3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine

C7H12FNO — CID 139473198

IUPAC(3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine
SMILESC=C(/C=C(/N)C(C)F)OC
InChIInChI=1S/C7H12FNO/c1-5(10-3)4-7(9)6(2)8/h4,6H,1,9H2,2-3H3/b7-4+
InChIKeyOJNJNSDSASRUOM-QPJJXVBHSA-N
MW145.18 g/mol
LogP1.35
Rot. Bonds3

About (3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine

(3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine (PubChem CID 139473198) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine
PubChem CID139473198
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine
SMILESC=C(/C=C(/N)C(C)F)OC
InChIInChI=1S/C7H12FNO/c1-5(10-3)4-7(9)6(2)8/h4,6H,1,9H2,2-3H3/b7-4+
InChIKeyOJNJNSDSASRUOM-QPJJXVBHSA-N
XLogP1.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine?
The IUPAC name of (3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine (CID 139473198) is (3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine.
What is the SMILES notation for (3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine?
The canonical SMILES for (3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine is C=C(/C=C(/N)C(C)F)OC.
What is the InChIKey of (3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine?
The InChIKey is OJNJNSDSASRUOM-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H12FNO/c1-5(10-3)4-7(9)6(2)8/h4,6H,1,9H2,2-3H3/b7-4+.
What are the key properties of (3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine?
(3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine has a molecular weight of 145.18 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine is sourced from PubChem (CID 139473198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).