(3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine

C7H10FN — CID 142062720

IUPAC(3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C/C=C(/F)C(=C)CN
InChIInChI=1S/C7H10FN/c1-3-4-7(8)6(2)5-9/h3-4H,1-2,5,9H2/b7-4+
InChIKeyJLCBFIYGBWAXTL-QPJJXVBHSA-N
MW127.16 g/mol
LogP1.54
Rot. Bonds3

About (3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine

(3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine (PubChem CID 142062720) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine
PubChem CID142062720
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C/C=C(/F)C(=C)CN
InChIInChI=1S/C7H10FN/c1-3-4-7(8)6(2)5-9/h3-4H,1-2,5,9H2/b7-4+
InChIKeyJLCBFIYGBWAXTL-QPJJXVBHSA-N
XLogP1.54
TPSA26.02 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 ≤ 51.54
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)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine?
The IUPAC name of (3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine (CID 142062720) is (3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine.
What is the SMILES notation for (3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine?
The canonical SMILES for (3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine is C=C/C=C(/F)C(=C)CN.
What is the InChIKey of (3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine?
The InChIKey is JLCBFIYGBWAXTL-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H10FN/c1-3-4-7(8)6(2)5-9/h3-4H,1-2,5,9H2/b7-4+.
What are the key properties of (3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine?
(3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine has a molecular weight of 127.16 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-fluoro-2-methylidenehexa-3,5-dien-1-amine is sourced from PubChem (CID 142062720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).