1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine

C14H14Cl2FN — CID 163743375

IUPAC1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine
SMILES[H]/N=C(\C)C1C(c2ccc(F)c(C=C)c2)[C@H]1C(Cl)Cl
InChIInChI=1S/C14H14Cl2FN/c1-3-8-6-9(4-5-10(8)17)12-11(7(2)18)13(12)14(15)16/h3-6,11-14,18H,1H2,2H3/b18-7+/t11?,12?,13-/m0/s1
InChIKeyLJRYDGPNIMUDKX-SFROGSIYSA-N
MW286.18 g/mol
LogP4.64
Rot. Bonds4

About 1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine

1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine (PubChem CID 163743375) has the molecular formula C14H14Cl2FN and a molecular weight of 286.18 g/mol. Its IUPAC name is 1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine.

Molecular Properties

Compound Name1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine
PubChem CID163743375
Molecular FormulaC14H14Cl2FN
Molecular Weight286.18 g/mol
Exact Mass285.05
IUPAC Name1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine
SMILES[H]/N=C(\C)C1C(c2ccc(F)c(C=C)c2)[C@H]1C(Cl)Cl
InChIInChI=1S/C14H14Cl2FN/c1-3-8-6-9(4-5-10(8)17)12-11(7(2)18)13(12)14(15)16/h3-6,11-14,18H,1H2,2H3/b18-7+/t11?,12?,13-/m0/s1
InChIKeyLJRYDGPNIMUDKX-SFROGSIYSA-N
XLogP4.64
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine?
The IUPAC name of 1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine (CID 163743375) is 1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine.
What is the SMILES notation for 1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine?
The canonical SMILES for 1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine is [H]/N=C(\C)C1C(c2ccc(F)c(C=C)c2)[C@H]1C(Cl)Cl.
What is the InChIKey of 1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine?
The InChIKey is LJRYDGPNIMUDKX-SFROGSIYSA-N. The full InChI is InChI=1S/C14H14Cl2FN/c1-3-8-6-9(4-5-10(8)17)12-11(7(2)18)13(12)14(15)16/h3-6,11-14,18H,1H2,2H3/b18-7+/t11?,12?,13-/m0/s1.
What are the key properties of 1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine?
1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine has a molecular weight of 286.18 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dichloromethyl)-3-(3-ethenyl-4-fluorophenyl)cyclopropyl]ethanimine is sourced from PubChem (CID 163743375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).