2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine

C11H16F3N — CID 123526598

IUPAC2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine
SMILES[H]/N=C/CC1C(C=C(C)C)C1CC(F)(F)F
InChIInChI=1S/C11H16F3N/c1-7(2)5-9-8(3-4-15)10(9)6-11(12,13)14/h4-5,8-10,15H,3,6H2,1-2H3/b15-4+
InChIKeyJYAXLFACKKHQBJ-SYZQJQIISA-N
MW219.25 g/mol
LogP3.81
Rot. Bonds4

About 2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine

2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine (PubChem CID 123526598) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine.

Molecular Properties

Compound Name2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine
PubChem CID123526598
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine
SMILES[H]/N=C/CC1C(C=C(C)C)C1CC(F)(F)F
InChIInChI=1S/C11H16F3N/c1-7(2)5-9-8(3-4-15)10(9)6-11(12,13)14/h4-5,8-10,15H,3,6H2,1-2H3/b15-4+
InChIKeyJYAXLFACKKHQBJ-SYZQJQIISA-N
XLogP3.81
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-6,6,6-trifluoro-5-methyl-2-propylhex-4-en-1-imine
CID 89708392
4-Methyl-2-[(2-methylcyclopropyl)methylidene]-3-(trifluoromethyl)hexan-1-imine
CID 123677463
(E)-6,6-difluoro-5-methyl-2-prop-1-en-2-ylhept-4-en-1-imine
CID 126497184
2-Prop-1-en-2-yl-4-(trifluoromethyl)hexan-1-imine
CID 166735022
(2E,4E)-5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 169619268
(E)-2-(difluoromethyl)-5-[(1R,2R)-2-propan-2-ylcyclopropyl]hex-2-en-1-imine
CID 169619378
(E)-5-[(1R,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)hex-2-en-1-imine
CID 169619447
(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)hexan-1-imine
CID 152802956
(Z)-4-methyl-2-propylhex-4-en-1-imine
CID 89697919
3,6,8-Trimethyldec-5-en-1-imine
CID 123837565
2-Ethyl-6-methylhept-5-en-1-imine
CID 155247195
(E)-6-methyl-4-propyloct-6-en-1-imine
CID 166765062

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine?
The IUPAC name of 2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine (CID 123526598) is 2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine.
What is the SMILES notation for 2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine?
The canonical SMILES for 2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine is [H]/N=C/CC1C(C=C(C)C)C1CC(F)(F)F.
What is the InChIKey of 2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine?
The InChIKey is JYAXLFACKKHQBJ-SYZQJQIISA-N. The full InChI is InChI=1S/C11H16F3N/c1-7(2)5-9-8(3-4-15)10(9)6-11(12,13)14/h4-5,8-10,15H,3,6H2,1-2H3/b15-4+.
What are the key properties of 2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine?
2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine has a molecular weight of 219.25 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-1-enyl)-3-(2,2,2-trifluoroethyl)cyclopropyl]ethanimine is sourced from PubChem (CID 123526598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).