(2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine

C8H11F2N — CID 162593337

IUPAC(2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine
SMILES[H]/N=C/C(=C\C)C(F)(F)C(=C)C
InChIInChI=1S/C8H11F2N/c1-4-7(5-11)8(9,10)6(2)3/h4-5,11H,2H2,1,3H3/b7-4+,11-5+
InChIKeyYZWZZXFPJAVJOV-CNAFAHAUSA-N
MW159.18 g/mol
LogP2.79
Rot. Bonds3

About (2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine

(2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine (PubChem CID 162593337) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is (2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine.

Molecular Properties

Compound Name(2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine
PubChem CID162593337
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine
SMILES[H]/N=C/C(=C\C)C(F)(F)C(=C)C
InChIInChI=1S/C8H11F2N/c1-4-7(5-11)8(9,10)6(2)3/h4-5,11H,2H2,1,3H3/b7-4+,11-5+
InChIKeyYZWZZXFPJAVJOV-CNAFAHAUSA-N
XLogP2.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine?
The IUPAC name of (2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine (CID 162593337) is (2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine.
What is the SMILES notation for (2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine?
The canonical SMILES for (2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine is [H]/N=C/C(=C\C)C(F)(F)C(=C)C.
What is the InChIKey of (2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine?
The InChIKey is YZWZZXFPJAVJOV-CNAFAHAUSA-N. The full InChI is InChI=1S/C8H11F2N/c1-4-7(5-11)8(9,10)6(2)3/h4-5,11H,2H2,1,3H3/b7-4+,11-5+.
What are the key properties of (2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine?
(2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine has a molecular weight of 159.18 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-3,3-difluoro-4-methylpent-4-en-1-imine is sourced from PubChem (CID 162593337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).