(2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride

C9H14FN — CID 138623915

IUPAC(2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride
SMILES[H]/N=C(F)/C=C\C(=C/C)C(C)C
InChIInChI=1S/C9H14FN/c1-4-8(7(2)3)5-6-9(10)11/h4-7,11H,1-3H3/b6-5-,8-4+,11-9-
InChIKeyIQUFSIQHYWMHPS-PCWYHWOHSA-N
MW155.22 g/mol
LogP3.09
Rot. Bonds3

About (2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride

(2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride (PubChem CID 138623915) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride.

Molecular Properties

Compound Name(2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride
PubChem CID138623915
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride
SMILES[H]/N=C(F)/C=C\C(=C/C)C(C)C
InChIInChI=1S/C9H14FN/c1-4-8(7(2)3)5-6-9(10)11/h4-7,11H,1-3H3/b6-5-,8-4+,11-9-
InChIKeyIQUFSIQHYWMHPS-PCWYHWOHSA-N
XLogP3.09
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 53.09
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 (2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride?
The IUPAC name of (2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride (CID 138623915) is (2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride.
What is the SMILES notation for (2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride?
The canonical SMILES for (2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride is [H]/N=C(F)/C=C\C(=C/C)C(C)C.
What is the InChIKey of (2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride?
The InChIKey is IQUFSIQHYWMHPS-PCWYHWOHSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-8(7(2)3)5-6-9(10)11/h4-7,11H,1-3H3/b6-5-,8-4+,11-9-.
What are the key properties of (2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride?
(2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride has a molecular weight of 155.22 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride is sourced from PubChem (CID 138623915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).