N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide

C11H9F6NO2 — CID 2817599

IUPACN-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide
SMILESCOC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9F6NO2/c1-20-9(10(12,13)14,11(15,16)17)18-8(19)7-5-3-2-4-6-7/h2-6H,1H3,(H,18,19)
InChIKeyRENBDKRBBGBVGJ-UHFFFAOYSA-N
MW301.19 g/mol
LogP2.88
Rot. Bonds3

About N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide

N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide (PubChem CID 2817599) has the molecular formula C11H9F6NO2 and a molecular weight of 301.19 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide
PubChem CID2817599
Molecular FormulaC11H9F6NO2
Molecular Weight301.19 g/mol
Exact Mass301.05
IUPAC NameN-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide
SMILESCOC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9F6NO2/c1-20-9(10(12,13)14,11(15,16)17)18-8(19)7-5-3-2-4-6-7/h2-6H,1H3,(H,18,19)
InChIKeyRENBDKRBBGBVGJ-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide (CID 2817599) is N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide is COC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide?
The InChIKey is RENBDKRBBGBVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO2/c1-20-9(10(12,13)14,11(15,16)17)18-8(19)7-5-3-2-4-6-7/h2-6H,1H3,(H,18,19).
What are the key properties of N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide?
N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide has a molecular weight of 301.19 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 2817599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).