(2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine

C7H10FN — CID 122401987

IUPAC(2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine
SMILES[H]/N=C/C=C\C=C\[C@@H](C)F
InChIInChI=1S/C7H10FN/c1-7(8)5-3-2-4-6-9/h2-7,9H,1H3/b4-2-,5-3+,9-6+/t7-/m1/s1
InChIKeyGEPIPJDXWWYJPI-BJWFMZLISA-N
MW127.16 g/mol
LogP2.11
Rot. Bonds3

About (2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine

(2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine (PubChem CID 122401987) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine
PubChem CID122401987
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine
SMILES[H]/N=C/C=C\C=C\[C@@H](C)F
InChIInChI=1S/C7H10FN/c1-7(8)5-3-2-4-6-9/h2-7,9H,1H3/b4-2-,5-3+,9-6+/t7-/m1/s1
InChIKeyGEPIPJDXWWYJPI-BJWFMZLISA-N
XLogP2.11
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.11
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'}

Analyze (2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-pent-2-en-1-imine
CID 44820632
Azahexadiene
CID 53732655
(2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine
CID 90273683
(E)-2-fluoropent-2-en-1-imine
CID 91273048
(2Z,4E)-5-fluoro-4-methylhexa-2,4-dien-1-imine
CID 117805560
(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
CID 118569105
(2E)-5-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 122494579
(E)-3-fluoropent-3-en-1-imine
CID 122663471
(Z)-5-fluorohex-2-en-1-imine
CID 123228456
2-Fluorohexa-2,4-dien-1-imine
CID 124022932
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
(2E,4E)-2-fluorohepta-2,4-dien-1-imine
CID 145395916

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine?
The IUPAC name of (2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine (CID 122401987) is (2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine is [H]/N=C/C=C\C=C\[C@@H](C)F.
What is the InChIKey of (2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine?
The InChIKey is GEPIPJDXWWYJPI-BJWFMZLISA-N. The full InChI is InChI=1S/C7H10FN/c1-7(8)5-3-2-4-6-9/h2-7,9H,1H3/b4-2-,5-3+,9-6+/t7-/m1/s1.
What are the key properties of (2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine?
(2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine has a molecular weight of 127.16 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6R)-6-fluorohepta-2,4-dien-1-imine is sourced from PubChem (CID 122401987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).