(E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine

C12H20FN — CID 171492856

IUPAC(E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine
SMILESC/C=C(\C=N\C(C)=C/CC)C(C)(C)F
InChIInChI=1S/C12H20FN/c1-6-8-10(3)14-9-11(7-2)12(4,5)13/h7-9H,6H2,1-5H3/b10-8-,11-7+,14-9+
InChIKeyXNNGCPFOKABSGV-HOIYOXHKSA-N
MW197.30 g/mol
LogP4.07
Rot. Bonds4

About (E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine

(E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine (PubChem CID 171492856) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine
PubChem CID171492856
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine
SMILESC/C=C(\C=N\C(C)=C/CC)C(C)(C)F
InChIInChI=1S/C12H20FN/c1-6-8-10(3)14-9-11(7-2)12(4,5)13/h7-9H,6H2,1-5H3/b10-8-,11-7+,14-9+
InChIKeyXNNGCPFOKABSGV-HOIYOXHKSA-N
XLogP4.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 54.07
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)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine?
The IUPAC name of (E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine (CID 171492856) is (E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine.
What is the SMILES notation for (E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine?
The canonical SMILES for (E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine is C/C=C(\C=N\C(C)=C/CC)C(C)(C)F.
What is the InChIKey of (E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine?
The InChIKey is XNNGCPFOKABSGV-HOIYOXHKSA-N. The full InChI is InChI=1S/C12H20FN/c1-6-8-10(3)14-9-11(7-2)12(4,5)13/h7-9H,6H2,1-5H3/b10-8-,11-7+,14-9+.
What are the key properties of (E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine?
(E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine has a molecular weight of 197.30 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-fluoropropan-2-yl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine is sourced from PubChem (CID 171492856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).