2-chloro-N,2,2-trifluoroethanimidoyl fluoride

C2ClF4N — CID 23233687

IUPAC2-chloro-N,2,2-trifluoroethanimidoyl fluoride
SMILESFN=C(F)C(F)(F)Cl
InChIInChI=1S/C2ClF4N/c3-2(5,6)1(4)8-7
InChIKeyWJXXKTIPVSJGPG-UHFFFAOYSA-N
MW149.47 g/mol
LogP2.07
Rot. Bonds1

About 2-chloro-N,2,2-trifluoroethanimidoyl fluoride

2-chloro-N,2,2-trifluoroethanimidoyl fluoride (PubChem CID 23233687) has the molecular formula C2ClF4N and a molecular weight of 149.47 g/mol. Its IUPAC name is 2-chloro-N,2,2-trifluoroethanimidoyl fluoride.

Molecular Properties

Compound Name2-chloro-N,2,2-trifluoroethanimidoyl fluoride
PubChem CID23233687
Molecular FormulaC2ClF4N
Molecular Weight149.47 g/mol
Exact Mass148.97
IUPAC Name2-chloro-N,2,2-trifluoroethanimidoyl fluoride
SMILESFN=C(F)C(F)(F)Cl
InChIInChI=1S/C2ClF4N/c3-2(5,6)1(4)8-7
InChIKeyWJXXKTIPVSJGPG-UHFFFAOYSA-N
XLogP2.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,2,2-trifluoroethanimidoyl fluoride?
The IUPAC name of 2-chloro-N,2,2-trifluoroethanimidoyl fluoride (CID 23233687) is 2-chloro-N,2,2-trifluoroethanimidoyl fluoride.
What is the SMILES notation for 2-chloro-N,2,2-trifluoroethanimidoyl fluoride?
The canonical SMILES for 2-chloro-N,2,2-trifluoroethanimidoyl fluoride is FN=C(F)C(F)(F)Cl.
What is the InChIKey of 2-chloro-N,2,2-trifluoroethanimidoyl fluoride?
The InChIKey is WJXXKTIPVSJGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2ClF4N/c3-2(5,6)1(4)8-7.
What are the key properties of 2-chloro-N,2,2-trifluoroethanimidoyl fluoride?
2-chloro-N,2,2-trifluoroethanimidoyl fluoride has a molecular weight of 149.47 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,2,2-trifluoroethanimidoyl fluoride is sourced from PubChem (CID 23233687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).