3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide

C14H9F12NO2 — CID 16763849

IUPAC3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide
SMILESO=C(NC(OCc1ccccc1)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H9F12NO2/c15-10(16,17)8(11(18,19)20)9(28)27-12(13(21,22)23,14(24,25)26)29-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,27,28)
InChIKeyYFYMZKJZQDWXCW-UHFFFAOYSA-N
MW451.21 g/mol
LogP4.88
Rot. Bonds5

About 3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide (PubChem CID 16763849) has the molecular formula C14H9F12NO2 and a molecular weight of 451.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide
PubChem CID16763849
Molecular FormulaC14H9F12NO2
Molecular Weight451.21 g/mol
Exact Mass451.04
IUPAC Name3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide
SMILESO=C(NC(OCc1ccccc1)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H9F12NO2/c15-10(16,17)8(11(18,19)20)9(28)27-12(13(21,22)23,14(24,25)26)29-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,27,28)
InChIKeyYFYMZKJZQDWXCW-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.21
LogP ≤ 54.88
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 3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide (CID 16763849) is 3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide is O=C(NC(OCc1ccccc1)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide?
The InChIKey is YFYMZKJZQDWXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F12NO2/c15-10(16,17)8(11(18,19)20)9(28)27-12(13(21,22)23,14(24,25)26)29-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,27,28).
What are the key properties of 3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide has a molecular weight of 451.21 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 16763849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).