(3Z)-5-fluorohexa-3,5-dien-2-imine

C6H8FN — CID 91396866

IUPAC(3Z)-5-fluorohexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C\C(=C)F
InChIInChI=1S/C6H8FN/c1-5(7)3-4-6(2)8/h3-4,8H,1H2,2H3/b4-3-,8-6+
InChIKeyOXHNZZSSOHFTPO-OONGGIDMSA-N
MW113.13 g/mol
LogP2.07
Rot. Bonds2

About (3Z)-5-fluorohexa-3,5-dien-2-imine

(3Z)-5-fluorohexa-3,5-dien-2-imine (PubChem CID 91396866) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is (3Z)-5-fluorohexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-5-fluorohexa-3,5-dien-2-imine
PubChem CID91396866
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name(3Z)-5-fluorohexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C\C(=C)F
InChIInChI=1S/C6H8FN/c1-5(7)3-4-6(2)8/h3-4,8H,1H2,2H3/b4-3-,8-6+
InChIKeyOXHNZZSSOHFTPO-OONGGIDMSA-N
XLogP2.07
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluorohexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-5-fluorohexa-3,5-dien-2-imine (CID 91396866) is (3Z)-5-fluorohexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-5-fluorohexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-5-fluorohexa-3,5-dien-2-imine is [H]/N=C(C)/C=C\C(=C)F.
What is the InChIKey of (3Z)-5-fluorohexa-3,5-dien-2-imine?
The InChIKey is OXHNZZSSOHFTPO-OONGGIDMSA-N. The full InChI is InChI=1S/C6H8FN/c1-5(7)3-4-6(2)8/h3-4,8H,1H2,2H3/b4-3-,8-6+.
What are the key properties of (3Z)-5-fluorohexa-3,5-dien-2-imine?
(3Z)-5-fluorohexa-3,5-dien-2-imine has a molecular weight of 113.13 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluorohexa-3,5-dien-2-imine is sourced from PubChem (CID 91396866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).