2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide

C11H10F6N2O2 — CID 107109913

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6N2O2/c1-5-3-2-4-6(8(18)19-20)7(5)21-9(10(12,13)14)11(15,16)17/h2-4,9,20H,1H3,(H2,18,19)
InChIKeyWHWPQWXXPOUNBY-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.96
Rot. Bonds3

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107109913) has the molecular formula C11H10F6N2O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107109913
Molecular FormulaC11H10F6N2O2
Molecular Weight316.20 g/mol
Exact Mass316.06
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6N2O2/c1-5-3-2-4-6(8(18)19-20)7(5)21-9(10(12,13)14)11(15,16)17/h2-4,9,20H,1H3,(H2,18,19)
InChIKeyWHWPQWXXPOUNBY-UHFFFAOYSA-N
XLogP2.96
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107109913) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is WHWPQWXXPOUNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O2/c1-5-3-2-4-6(8(18)19-20)7(5)21-9(10(12,13)14)11(15,16)17/h2-4,9,20H,1H3,(H2,18,19).
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 316.20 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).