(E)-4-fluoro-2-methylidenehex-3-en-1-amine

C7H12FN — CID 88557724

IUPAC(E)-4-fluoro-2-methylidenehex-3-en-1-amine
SMILESC=C(/C=C(/F)CC)CN
InChIInChI=1S/C7H12FN/c1-3-7(8)4-6(2)5-9/h4H,2-3,5,9H2,1H3/b7-4+
InChIKeySDFCZMDMXSMQOE-QPJJXVBHSA-N
MW129.18 g/mol
LogP1.76
Rot. Bonds3

About (E)-4-fluoro-2-methylidenehex-3-en-1-amine

(E)-4-fluoro-2-methylidenehex-3-en-1-amine (PubChem CID 88557724) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (E)-4-fluoro-2-methylidenehex-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-fluoro-2-methylidenehex-3-en-1-amine
PubChem CID88557724
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(E)-4-fluoro-2-methylidenehex-3-en-1-amine
SMILESC=C(/C=C(/F)CC)CN
InChIInChI=1S/C7H12FN/c1-3-7(8)4-6(2)5-9/h4H,2-3,5,9H2,1H3/b7-4+
InChIKeySDFCZMDMXSMQOE-QPJJXVBHSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
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 (E)-4-fluoro-2-methylidenehex-3-en-1-amine?
The IUPAC name of (E)-4-fluoro-2-methylidenehex-3-en-1-amine (CID 88557724) is (E)-4-fluoro-2-methylidenehex-3-en-1-amine.
What is the SMILES notation for (E)-4-fluoro-2-methylidenehex-3-en-1-amine?
The canonical SMILES for (E)-4-fluoro-2-methylidenehex-3-en-1-amine is C=C(/C=C(/F)CC)CN.
What is the InChIKey of (E)-4-fluoro-2-methylidenehex-3-en-1-amine?
The InChIKey is SDFCZMDMXSMQOE-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-7(8)4-6(2)5-9/h4H,2-3,5,9H2,1H3/b7-4+.
What are the key properties of (E)-4-fluoro-2-methylidenehex-3-en-1-amine?
(E)-4-fluoro-2-methylidenehex-3-en-1-amine has a molecular weight of 129.18 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 (E)-4-fluoro-2-methylidenehex-3-en-1-amine is sourced from PubChem (CID 88557724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).