(2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine

C9H14FN — CID 118336192

IUPAC(2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine
SMILESC=C/C(=C\C(F)=C(C)C)CN
InChIInChI=1S/C9H14FN/c1-4-8(6-11)5-9(10)7(2)3/h4-5H,1,6,11H2,2-3H3/b8-5+
InChIKeyQVBYXNHNFRXJMV-VMPITWQZSA-N
MW155.22 g/mol
LogP2.32
Rot. Bonds3

About (2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine

(2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine (PubChem CID 118336192) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine
PubChem CID118336192
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine
SMILESC=C/C(=C\C(F)=C(C)C)CN
InChIInChI=1S/C9H14FN/c1-4-8(6-11)5-9(10)7(2)3/h4-5H,1,6,11H2,2-3H3/b8-5+
InChIKeyQVBYXNHNFRXJMV-VMPITWQZSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.32
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 (2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine?
The IUPAC name of (2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine (CID 118336192) is (2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine is C=C/C(=C\C(F)=C(C)C)CN.
What is the InChIKey of (2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine?
The InChIKey is QVBYXNHNFRXJMV-VMPITWQZSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-8(6-11)5-9(10)7(2)3/h4-5H,1,6,11H2,2-3H3/b8-5+.
What are the key properties of (2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine?
(2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine has a molecular weight of 155.22 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-4-fluoro-5-methylhexa-2,4-dien-1-amine is sourced from PubChem (CID 118336192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).