(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine

C10H18FN — CID 123979160

IUPAC(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
SMILESC/C=C(C)/C(C)=N/CC(C)(C)F
InChIInChI=1S/C10H18FN/c1-6-8(2)9(3)12-7-10(4,5)11/h6H,7H2,1-5H3/b8-6+,12-9+
InChIKeyAZXGVKVXEWSCAW-CPQOCIIQSA-N
MW171.26 g/mol
LogP3.16
Rot. Bonds3

About (E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine

(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine (PubChem CID 123979160) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
PubChem CID123979160
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
SMILESC/C=C(C)/C(C)=N/CC(C)(C)F
InChIInChI=1S/C10H18FN/c1-6-8(2)9(3)12-7-10(4,5)11/h6H,7H2,1-5H3/b8-6+,12-9+
InChIKeyAZXGVKVXEWSCAW-CPQOCIIQSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
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)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine?
The IUPAC name of (E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine (CID 123979160) is (E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine.
What is the SMILES notation for (E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine?
The canonical SMILES for (E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine is C/C=C(C)/C(C)=N/CC(C)(C)F.
What is the InChIKey of (E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine?
The InChIKey is AZXGVKVXEWSCAW-CPQOCIIQSA-N. The full InChI is InChI=1S/C10H18FN/c1-6-8(2)9(3)12-7-10(4,5)11/h6H,7H2,1-5H3/b8-6+,12-9+.
What are the key properties of (E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine?
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine has a molecular weight of 171.26 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)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine is sourced from PubChem (CID 123979160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).