(2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine

C10H18FN — CID 138495027

IUPAC(2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine
SMILESC/C(F)=C\C(=C(\C)N)C(C)(C)C
InChIInChI=1S/C10H18FN/c1-7(11)6-9(8(2)12)10(3,4)5/h6H,12H2,1-5H3/b7-6+,9-8+
InChIKeyDAWVQLYTGQIMOQ-BLHCBFLLSA-N
MW171.26 g/mol
LogP3.14
Rot. Bonds1

About (2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine

(2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine (PubChem CID 138495027) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine
PubChem CID138495027
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine
SMILESC/C(F)=C\C(=C(\C)N)C(C)(C)C
InChIInChI=1S/C10H18FN/c1-7(11)6-9(8(2)12)10(3,4)5/h6H,12H2,1-5H3/b7-6+,9-8+
InChIKeyDAWVQLYTGQIMOQ-BLHCBFLLSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 53.14
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)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine (CID 138495027) is (2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine is C/C(F)=C\C(=C(\C)N)C(C)(C)C.
What is the InChIKey of (2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine?
The InChIKey is DAWVQLYTGQIMOQ-BLHCBFLLSA-N. The full InChI is InChI=1S/C10H18FN/c1-7(11)6-9(8(2)12)10(3,4)5/h6H,12H2,1-5H3/b7-6+,9-8+.
What are the key properties of (2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine?
(2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine has a molecular weight of 171.26 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine is sourced from PubChem (CID 138495027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).