[(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine

C11H16FN — CID 135217583

IUPAC[(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine
SMILES[H]/N=C/C1/C(=C/C=C)C1(C)C(C)(C)F
InChIInChI=1S/C11H16FN/c1-5-6-8-9(7-13)11(8,4)10(2,3)12/h5-7,9,13H,1H2,2-4H3/b8-6-,13-7+
InChIKeyUEUOTMJNZHLYNH-WNDPTYLVSA-N
MW181.25 g/mol
LogP3.13
Rot. Bonds3

About [(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine

[(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine (PubChem CID 135217583) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is [(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine.

Molecular Properties

Compound Name[(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine
PubChem CID135217583
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name[(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine
SMILES[H]/N=C/C1/C(=C/C=C)C1(C)C(C)(C)F
InChIInChI=1S/C11H16FN/c1-5-6-8-9(7-13)11(8,4)10(2,3)12/h5-7,9,13H,1H2,2-4H3/b8-6-,13-7+
InChIKeyUEUOTMJNZHLYNH-WNDPTYLVSA-N
XLogP3.13
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
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 [(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine?
The IUPAC name of [(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine (CID 135217583) is [(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine.
What is the SMILES notation for [(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine?
The canonical SMILES for [(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine is [H]/N=C/C1/C(=C/C=C)C1(C)C(C)(C)F.
What is the InChIKey of [(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine?
The InChIKey is UEUOTMJNZHLYNH-WNDPTYLVSA-N. The full InChI is InChI=1S/C11H16FN/c1-5-6-8-9(7-13)11(8,4)10(2,3)12/h5-7,9,13H,1H2,2-4H3/b8-6-,13-7+.
What are the key properties of [(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine?
[(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine has a molecular weight of 181.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine is sourced from PubChem (CID 135217583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).