(Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride

C10H15ClFN — CID 135276821

IUPAC(Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(=C/C)C(C)(F)CC
InChIInChI=1S/C10H15ClFN/c1-4-8(6-7-9(11)13)10(3,12)5-2/h4,6-7,13H,5H2,1-3H3/b7-6-,8-4+,13-9-
InChIKeyRUYYHNFKTYZWTJ-SNLXKBANSA-N
MW203.69 g/mol
LogP3.84
Rot. Bonds4

About (Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride

(Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride (PubChem CID 135276821) has the molecular formula C10H15ClFN and a molecular weight of 203.69 g/mol. Its IUPAC name is (Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride
PubChem CID135276821
Molecular FormulaC10H15ClFN
Molecular Weight203.69 g/mol
Exact Mass203.09
IUPAC Name(Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(=C/C)C(C)(F)CC
InChIInChI=1S/C10H15ClFN/c1-4-8(6-7-9(11)13)10(3,12)5-2/h4,6-7,13H,5H2,1-3H3/b7-6-,8-4+,13-9-
InChIKeyRUYYHNFKTYZWTJ-SNLXKBANSA-N
XLogP3.84
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 53.84
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 (Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride?
The IUPAC name of (Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride (CID 135276821) is (Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride.
What is the SMILES notation for (Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride?
The canonical SMILES for (Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride is [H]/N=C(Cl)/C=C\C(=C/C)C(C)(F)CC.
What is the InChIKey of (Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride?
The InChIKey is RUYYHNFKTYZWTJ-SNLXKBANSA-N. The full InChI is InChI=1S/C10H15ClFN/c1-4-8(6-7-9(11)13)10(3,12)5-2/h4,6-7,13H,5H2,1-3H3/b7-6-,8-4+,13-9-.
What are the key properties of (Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride?
(Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride has a molecular weight of 203.69 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-ethylidene-5-fluoro-5-methylhept-2-enimidoyl chloride is sourced from PubChem (CID 135276821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).