(E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine

C8H12F3N — CID 162561088

IUPAC(E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine
SMILESCC/N=C(C)/C=C(\C)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-4-12-7(3)5-6(2)8(9,10)11/h5H,4H2,1-3H3/b6-5+,12-7+
InChIKeyGUUWMPYAHKIOHF-DVIJZSFDSA-N
MW179.18 g/mol
LogP2.98
Rot. Bonds2

About (E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine

(E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine (PubChem CID 162561088) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is (E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine
PubChem CID162561088
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name(E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine
SMILESCC/N=C(C)/C=C(\C)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-4-12-7(3)5-6(2)8(9,10)11/h5H,4H2,1-3H3/b6-5+,12-7+
InChIKeyGUUWMPYAHKIOHF-DVIJZSFDSA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.98
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)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine?
The IUPAC name of (E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine (CID 162561088) is (E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine.
What is the SMILES notation for (E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine?
The canonical SMILES for (E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine is CC/N=C(C)/C=C(\C)C(F)(F)F.
What is the InChIKey of (E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine?
The InChIKey is GUUWMPYAHKIOHF-DVIJZSFDSA-N. The full InChI is InChI=1S/C8H12F3N/c1-4-12-7(3)5-6(2)8(9,10)11/h5H,4H2,1-3H3/b6-5+,12-7+.
What are the key properties of (E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine?
(E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine has a molecular weight of 179.18 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine is sourced from PubChem (CID 162561088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).