(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine

C11H17F2N — CID 171493102

IUPAC(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
SMILESC/C=C(\C=N\C(C)=C\CC)C(C)(F)F
InChIInChI=1S/C11H17F2N/c1-5-7-9(3)14-8-10(6-2)11(4,12)13/h6-8H,5H2,1-4H3/b9-7+,10-6+,14-8+
InChIKeyQCKNLBGQXZAQAW-KFWQOVNESA-N
MW201.26 g/mol
LogP3.97
Rot. Bonds4

About (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine

(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine (PubChem CID 171493102) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
PubChem CID171493102
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
SMILESC/C=C(\C=N\C(C)=C\CC)C(C)(F)F
InChIInChI=1S/C11H17F2N/c1-5-7-9(3)14-8-10(6-2)11(4,12)13/h6-8H,5H2,1-4H3/b9-7+,10-6+,14-8+
InChIKeyQCKNLBGQXZAQAW-KFWQOVNESA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.97
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-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine?
The IUPAC name of (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine (CID 171493102) is (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine.
What is the SMILES notation for (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine?
The canonical SMILES for (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine is C/C=C(\C=N\C(C)=C\CC)C(C)(F)F.
What is the InChIKey of (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine?
The InChIKey is QCKNLBGQXZAQAW-KFWQOVNESA-N. The full InChI is InChI=1S/C11H17F2N/c1-5-7-9(3)14-8-10(6-2)11(4,12)13/h6-8H,5H2,1-4H3/b9-7+,10-6+,14-8+.
What are the key properties of (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine?
(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine has a molecular weight of 201.26 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine is sourced from PubChem (CID 171493102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).