(2Z,4E)-4-fluorohexa-2,4-dien-1-amine

C6H10FN — CID 89259790

IUPAC(2Z,4E)-4-fluorohexa-2,4-dien-1-amine
SMILESC/C=C(F)\C=C/CN
InChIInChI=1S/C6H10FN/c1-2-6(7)4-3-5-8/h2-4H,5,8H2,1H3/b4-3-,6-2+
InChIKeyUPAQSQWOJUFALO-FSEBUJBSSA-N
MW115.15 g/mol
LogP1.37
Rot. Bonds2

About (2Z,4E)-4-fluorohexa-2,4-dien-1-amine

(2Z,4E)-4-fluorohexa-2,4-dien-1-amine (PubChem CID 89259790) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (2Z,4E)-4-fluorohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-4-fluorohexa-2,4-dien-1-amine
PubChem CID89259790
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(2Z,4E)-4-fluorohexa-2,4-dien-1-amine
SMILESC/C=C(F)\C=C/CN
InChIInChI=1S/C6H10FN/c1-2-6(7)4-3-5-8/h2-4H,5,8H2,1H3/b4-3-,6-2+
InChIKeyUPAQSQWOJUFALO-FSEBUJBSSA-N
XLogP1.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.37
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 (2Z,4E)-4-fluorohexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-4-fluorohexa-2,4-dien-1-amine (CID 89259790) is (2Z,4E)-4-fluorohexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-4-fluorohexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-4-fluorohexa-2,4-dien-1-amine is C/C=C(F)\C=C/CN.
What is the InChIKey of (2Z,4E)-4-fluorohexa-2,4-dien-1-amine?
The InChIKey is UPAQSQWOJUFALO-FSEBUJBSSA-N. The full InChI is InChI=1S/C6H10FN/c1-2-6(7)4-3-5-8/h2-4H,5,8H2,1H3/b4-3-,6-2+.
What are the key properties of (2Z,4E)-4-fluorohexa-2,4-dien-1-amine?
(2Z,4E)-4-fluorohexa-2,4-dien-1-amine has a molecular weight of 115.15 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-fluorohexa-2,4-dien-1-amine is sourced from PubChem (CID 89259790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).