(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine

C10H16FN — CID 170077929

IUPAC(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
SMILESC=C(C)/C=C(F)\C(=N\C)C(C)C
InChIInChI=1S/C10H16FN/c1-7(2)6-9(11)10(12-5)8(3)4/h6,8H,1H2,2-5H3/b9-6+,12-10+
InChIKeyXJYQXLBKZSWKAB-LWGDNYCUSA-N
MW169.24 g/mol
LogP3.14
Rot. Bonds3

About (4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine

(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine (PubChem CID 170077929) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
PubChem CID170077929
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
SMILESC=C(C)/C=C(F)\C(=N\C)C(C)C
InChIInChI=1S/C10H16FN/c1-7(2)6-9(11)10(12-5)8(3)4/h6,8H,1H2,2-5H3/b9-6+,12-10+
InChIKeyXJYQXLBKZSWKAB-LWGDNYCUSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
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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Related Compounds

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CID 123257135
CID 123257135
CID 123979160
CID 123979160
CID 126592408
CID 126592408
CID 129215964
CID 129215964
CID 135190182
CID 135190182
CID 139444855
CID 139444855
CID 142275946
CID 142275946
CID 142523799
CID 142523799
CID 143331085
CID 143331085

Frequently Asked Questions

What is the IUPAC name of (4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine?
The IUPAC name of (4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine (CID 170077929) is (4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine.
What is the SMILES notation for (4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine?
The canonical SMILES for (4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine is C=C(C)/C=C(F)\C(=N\C)C(C)C.
What is the InChIKey of (4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine?
The InChIKey is XJYQXLBKZSWKAB-LWGDNYCUSA-N. The full InChI is InChI=1S/C10H16FN/c1-7(2)6-9(11)10(12-5)8(3)4/h6,8H,1H2,2-5H3/b9-6+,12-10+.
What are the key properties of (4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine?
(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine has a molecular weight of 169.24 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine is sourced from PubChem (CID 170077929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).