(2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine

C6H5F4N — CID 173471930

IUPAC(2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine
SMILESC=C/C=C(/F)C=NC(F)(F)F
InChIInChI=1S/C6H5F4N/c1-2-3-5(7)4-11-6(8,9)10/h2-4H,1H2/b5-3+,11-4?
InChIKeyRKOIWOMEBWMTJK-IEZRDKOKSA-N
MW167.10 g/mol
LogP2.62
Rot. Bonds2

About (2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine

(2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine (PubChem CID 173471930) has the molecular formula C6H5F4N and a molecular weight of 167.10 g/mol. Its IUPAC name is (2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine
PubChem CID173471930
Molecular FormulaC6H5F4N
Molecular Weight167.10 g/mol
Exact Mass167.04
IUPAC Name(2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine
SMILESC=C/C=C(/F)C=NC(F)(F)F
InChIInChI=1S/C6H5F4N/c1-2-3-5(7)4-11-6(8,9)10/h2-4H,1H2/b5-3+,11-4?
InChIKeyRKOIWOMEBWMTJK-IEZRDKOKSA-N
XLogP2.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.10
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine?
The IUPAC name of (2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine (CID 173471930) is (2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine?
The canonical SMILES for (2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine is C=C/C=C(/F)C=NC(F)(F)F.
What is the InChIKey of (2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine?
The InChIKey is RKOIWOMEBWMTJK-IEZRDKOKSA-N. The full InChI is InChI=1S/C6H5F4N/c1-2-3-5(7)4-11-6(8,9)10/h2-4H,1H2/b5-3+,11-4?.
What are the key properties of (2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine?
(2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine has a molecular weight of 167.10 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 173471930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).