4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride

C11H4ClF10NO2 — CID 175302795

IUPAC4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C11H4ClF10NO2/c12-7(23-24)5-2-1-4(3-6(5)25-11(20,21)22)8(13,9(14,15)16)10(17,18)19/h1-3,24H
InChIKeyOJXOIUZNSAVEHX-UHFFFAOYSA-N
MW407.59 g/mol
LogP5.25
Rot. Bonds3

About 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride

4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride (PubChem CID 175302795) has the molecular formula C11H4ClF10NO2 and a molecular weight of 407.59 g/mol. Its IUPAC name is 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride
PubChem CID175302795
Molecular FormulaC11H4ClF10NO2
Molecular Weight407.59 g/mol
Exact Mass406.98
IUPAC Name4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C11H4ClF10NO2/c12-7(23-24)5-2-1-4(3-6(5)25-11(20,21)22)8(13,9(14,15)16)10(17,18)19/h1-3,24H
InChIKeyOJXOIUZNSAVEHX-UHFFFAOYSA-N
XLogP5.25
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.59
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride?
The IUPAC name of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride (CID 175302795) is 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride.
What is the SMILES notation for 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride?
The canonical SMILES for 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride is ON=C(Cl)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)(F)F.
What is the InChIKey of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride?
The InChIKey is OJXOIUZNSAVEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF10NO2/c12-7(23-24)5-2-1-4(3-6(5)25-11(20,21)22)8(13,9(14,15)16)10(17,18)19/h1-3,24H.
What are the key properties of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride?
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride has a molecular weight of 407.59 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-(trifluoromethoxy)benzenecarboximidoyl chloride is sourced from PubChem (CID 175302795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).