(Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride

C7H7F4N — CID 123796974

IUPAC(Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride
SMILESC/C=C\C(F)=N\C=C\C(F)(F)F
InChIInChI=1S/C7H7F4N/c1-2-3-6(8)12-5-4-7(9,10)11/h2-5H,1H3/b3-2-,5-4+,12-6-
InChIKeyUYOFPTLOJSJANQ-VYMZBDTBSA-N
MW181.13 g/mol
LogP3.01
Rot. Bonds2

About (Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride

(Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride (PubChem CID 123796974) has the molecular formula C7H7F4N and a molecular weight of 181.13 g/mol. Its IUPAC name is (Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride
PubChem CID123796974
Molecular FormulaC7H7F4N
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Name(Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride
SMILESC/C=C\C(F)=N\C=C\C(F)(F)F
InChIInChI=1S/C7H7F4N/c1-2-3-6(8)12-5-4-7(9,10)11/h2-5H,1H3/b3-2-,5-4+,12-6-
InChIKeyUYOFPTLOJSJANQ-VYMZBDTBSA-N
XLogP3.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 53.01
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 (Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride?
The IUPAC name of (Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride (CID 123796974) is (Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride?
The canonical SMILES for (Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride is C/C=C\C(F)=N\C=C\C(F)(F)F.
What is the InChIKey of (Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride?
The InChIKey is UYOFPTLOJSJANQ-VYMZBDTBSA-N. The full InChI is InChI=1S/C7H7F4N/c1-2-3-6(8)12-5-4-7(9,10)11/h2-5H,1H3/b3-2-,5-4+,12-6-.
What are the key properties of (Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride?
(Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride has a molecular weight of 181.13 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-3,3,3-trifluoroprop-1-enyl]but-2-enimidoyl fluoride is sourced from PubChem (CID 123796974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).