(2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine

C8H14FN — CID 134365643

IUPAC(2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine
SMILESCN/C(C)=C(C)/C=C(\C)F
InChIInChI=1S/C8H14FN/c1-6(5-7(2)9)8(3)10-4/h5,10H,1-4H3/b7-5+,8-6+
InChIKeyZQNMMVJMBCHSQW-KQQUZDAGSA-N
MW143.20 g/mol
LogP2.37
Rot. Bonds2

About (2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine

(2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine (PubChem CID 134365643) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine
PubChem CID134365643
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine
SMILESCN/C(C)=C(C)/C=C(\C)F
InChIInChI=1S/C8H14FN/c1-6(5-7(2)9)8(3)10-4/h5,10H,1-4H3/b7-5+,8-6+
InChIKeyZQNMMVJMBCHSQW-KQQUZDAGSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.37
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,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine (CID 134365643) is (2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine is CN/C(C)=C(C)/C=C(\C)F.
What is the InChIKey of (2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine?
The InChIKey is ZQNMMVJMBCHSQW-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H14FN/c1-6(5-7(2)9)8(3)10-4/h5,10H,1-4H3/b7-5+,8-6+.
What are the key properties of (2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine?
(2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine has a molecular weight of 143.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine is sourced from PubChem (CID 134365643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).