2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide

C10H8F6N2O2 — CID 102722552

IUPAC2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide
SMILESNC(=O)c1cc(OC(C(F)(F)F)C(F)(F)F)ccc1N
InChIInChI=1S/C10H8F6N2O2/c11-9(12,13)8(10(14,15)16)20-4-1-2-6(17)5(3-4)7(18)19/h1-3,8H,17H2,(H2,18,19)
InChIKeyYOIQWNXHZIIGHK-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.24
Rot. Bonds3

About 2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide

2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide (PubChem CID 102722552) has the molecular formula C10H8F6N2O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide.

Molecular Properties

Compound Name2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide
PubChem CID102722552
Molecular FormulaC10H8F6N2O2
Molecular Weight302.17 g/mol
Exact Mass302.05
IUPAC Name2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide
SMILESNC(=O)c1cc(OC(C(F)(F)F)C(F)(F)F)ccc1N
InChIInChI=1S/C10H8F6N2O2/c11-9(12,13)8(10(14,15)16)20-4-1-2-6(17)5(3-4)7(18)19/h1-3,8H,17H2,(H2,18,19)
InChIKeyYOIQWNXHZIIGHK-UHFFFAOYSA-N
XLogP2.24
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide?
The IUPAC name of 2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide (CID 102722552) is 2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide.
What is the SMILES notation for 2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide?
The canonical SMILES for 2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide is NC(=O)c1cc(OC(C(F)(F)F)C(F)(F)F)ccc1N.
What is the InChIKey of 2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide?
The InChIKey is YOIQWNXHZIIGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2O2/c11-9(12,13)8(10(14,15)16)20-4-1-2-6(17)5(3-4)7(18)19/h1-3,8H,17H2,(H2,18,19).
What are the key properties of 2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide?
2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide has a molecular weight of 302.17 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide is sourced from PubChem (CID 102722552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).