(3E,5E)-6-fluorohexa-3,5-dien-3-amine

C6H10FN — CID 89259713

IUPAC(3E,5E)-6-fluorohexa-3,5-dien-3-amine
SMILESCC/C(N)=C\C=C\F
InChIInChI=1S/C6H10FN/c1-2-6(8)4-3-5-7/h3-5H,2,8H2,1H3/b5-3+,6-4+
InChIKeyPLGDAUUOGAANBM-GGWOSOGESA-N
MW115.15 g/mol
LogP1.72
Rot. Bonds2

About (3E,5E)-6-fluorohexa-3,5-dien-3-amine

(3E,5E)-6-fluorohexa-3,5-dien-3-amine (PubChem CID 89259713) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (3E,5E)-6-fluorohexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-fluorohexa-3,5-dien-3-amine
PubChem CID89259713
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(3E,5E)-6-fluorohexa-3,5-dien-3-amine
SMILESCC/C(N)=C\C=C\F
InChIInChI=1S/C6H10FN/c1-2-6(8)4-3-5-7/h3-5H,2,8H2,1H3/b5-3+,6-4+
InChIKeyPLGDAUUOGAANBM-GGWOSOGESA-N
XLogP1.72
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 ≤ 51.72
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 (3E,5E)-6-fluorohexa-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-6-fluorohexa-3,5-dien-3-amine (CID 89259713) is (3E,5E)-6-fluorohexa-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-6-fluorohexa-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-6-fluorohexa-3,5-dien-3-amine is CC/C(N)=C\C=C\F.
What is the InChIKey of (3E,5E)-6-fluorohexa-3,5-dien-3-amine?
The InChIKey is PLGDAUUOGAANBM-GGWOSOGESA-N. The full InChI is InChI=1S/C6H10FN/c1-2-6(8)4-3-5-7/h3-5H,2,8H2,1H3/b5-3+,6-4+.
What are the key properties of (3E,5E)-6-fluorohexa-3,5-dien-3-amine?
(3E,5E)-6-fluorohexa-3,5-dien-3-amine has a molecular weight of 115.15 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-fluorohexa-3,5-dien-3-amine is sourced from PubChem (CID 89259713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).