(E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine

C11H18FN — CID 166896627

IUPAC(E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine
SMILESC/N=C(/C=C(\C)C1CC1)C(C)(C)F
InChIInChI=1S/C11H18FN/c1-8(9-5-6-9)7-10(13-4)11(2,3)12/h7,9H,5-6H2,1-4H3/b8-7+,13-10-
InChIKeyZWCZQHHAHUEPBM-JXQIQDKBSA-N
MW183.27 g/mol
LogP3.16
Rot. Bonds3

About (E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine

(E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine (PubChem CID 166896627) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine.

Molecular Properties

Compound Name(E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine
PubChem CID166896627
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine
SMILESC/N=C(/C=C(\C)C1CC1)C(C)(C)F
InChIInChI=1S/C11H18FN/c1-8(9-5-6-9)7-10(13-4)11(2,3)12/h7,9H,5-6H2,1-4H3/b8-7+,13-10-
InChIKeyZWCZQHHAHUEPBM-JXQIQDKBSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine?
The IUPAC name of (E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine (CID 166896627) is (E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine.
What is the SMILES notation for (E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine?
The canonical SMILES for (E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine is C/N=C(/C=C(\C)C1CC1)C(C)(C)F.
What is the InChIKey of (E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine?
The InChIKey is ZWCZQHHAHUEPBM-JXQIQDKBSA-N. The full InChI is InChI=1S/C11H18FN/c1-8(9-5-6-9)7-10(13-4)11(2,3)12/h7,9H,5-6H2,1-4H3/b8-7+,13-10-.
What are the key properties of (E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine?
(E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine has a molecular weight of 183.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine is sourced from PubChem (CID 166896627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).