(3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine

C7H10FN — CID 142969695

IUPAC(3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C(=C\C(=C)F)NC
InChIInChI=1S/C7H10FN/c1-4-7(9-3)5-6(2)8/h4-5,9H,1-2H2,3H3/b7-5+
InChIKeyMDTJURMNWVYVRG-FNORWQNLSA-N
MW127.16 g/mol
LogP1.76
Rot. Bonds3

About (3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine

(3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine (PubChem CID 142969695) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine
PubChem CID142969695
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C(=C\C(=C)F)NC
InChIInChI=1S/C7H10FN/c1-4-7(9-3)5-6(2)8/h4-5,9H,1-2H2,3H3/b7-5+
InChIKeyMDTJURMNWVYVRG-FNORWQNLSA-N
XLogP1.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.76
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 (3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine (CID 142969695) is (3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine is C=C/C(=C\C(=C)F)NC.
What is the InChIKey of (3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine?
The InChIKey is MDTJURMNWVYVRG-FNORWQNLSA-N. The full InChI is InChI=1S/C7H10FN/c1-4-7(9-3)5-6(2)8/h4-5,9H,1-2H2,3H3/b7-5+.
What are the key properties of (3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine?
(3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine has a molecular weight of 127.16 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-N-methylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 142969695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).