2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride

C10H3Cl3F7NO — CID 118065074

IUPAC2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C10H3Cl3F7NO/c11-4-1-3(2-5(12)6(4)7(13)21-22)8(14,9(15,16)17)10(18,19)20/h1-2,22H
InChIKeyJCPAZPMMGBOPHJ-UHFFFAOYSA-N
MW392.49 g/mol
LogP5.66
Rot. Bonds2

About 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride

2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 118065074) has the molecular formula C10H3Cl3F7NO and a molecular weight of 392.49 g/mol. Its IUPAC name is 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride
PubChem CID118065074
Molecular FormulaC10H3Cl3F7NO
Molecular Weight392.49 g/mol
Exact Mass390.92
IUPAC Name2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C10H3Cl3F7NO/c11-4-1-3(2-5(12)6(4)7(13)21-22)8(14,9(15,16)17)10(18,19)20/h1-2,22H
InChIKeyJCPAZPMMGBOPHJ-UHFFFAOYSA-N
XLogP5.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride (CID 118065074) is 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride is ON=C(Cl)c1c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is JCPAZPMMGBOPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl3F7NO/c11-4-1-3(2-5(12)6(4)7(13)21-22)8(14,9(15,16)17)10(18,19)20/h1-2,22H.
What are the key properties of 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride?
2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 392.49 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 118065074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).