(3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine

C8H12FN — CID 134217364

IUPAC(3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(C)=C\C(F)=C/C
InChIInChI=1S/C8H12FN/c1-4-8(9)5-6(2)7(3)10/h4-5,10H,1-3H3/b6-5-,8-4+,10-7+
InChIKeyQHKSIOSXGHZZIR-GZBAQZRKSA-N
MW141.19 g/mol
LogP2.85
Rot. Bonds2

About (3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine

(3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine (PubChem CID 134217364) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine
PubChem CID134217364
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(C)=C\C(F)=C/C
InChIInChI=1S/C8H12FN/c1-4-8(9)5-6(2)7(3)10/h4-5,10H,1-3H3/b6-5-,8-4+,10-7+
InChIKeyQHKSIOSXGHZZIR-GZBAQZRKSA-N
XLogP2.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.85
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,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine (CID 134217364) is (3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine is [H]/N=C(C)/C(C)=C\C(F)=C/C.
What is the InChIKey of (3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine?
The InChIKey is QHKSIOSXGHZZIR-GZBAQZRKSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-8(9)5-6(2)7(3)10/h4-5,10H,1-3H3/b6-5-,8-4+,10-7+.
What are the key properties of (3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine?
(3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine has a molecular weight of 141.19 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine is sourced from PubChem (CID 134217364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).