2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide

C10H14BrF6NO — CID 71673125

IUPAC2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide
SMILESCC(C)N(C(=O)C(Br)(C(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C10H14BrF6NO/c1-5(2)18(6(3)4)7(19)8(11,9(12,13)14)10(15,16)17/h5-6H,1-4H3
InChIKeyYRGOUEYNLZDJII-UHFFFAOYSA-N
MW358.12 g/mol
LogP3.89
Rot. Bonds3

About 2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide

2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide (PubChem CID 71673125) has the molecular formula C10H14BrF6NO and a molecular weight of 358.12 g/mol. Its IUPAC name is 2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide
PubChem CID71673125
Molecular FormulaC10H14BrF6NO
Molecular Weight358.12 g/mol
Exact Mass357.02
IUPAC Name2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide
SMILESCC(C)N(C(=O)C(Br)(C(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C10H14BrF6NO/c1-5(2)18(6(3)4)7(19)8(11,9(12,13)14)10(15,16)17/h5-6H,1-4H3
InChIKeyYRGOUEYNLZDJII-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide
CID 3470893
2,2,3,3-tetramethyl-N,N-di(propan-2-yl)butanamide
CID 58799213
3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,1-di(propan-2-yl)urea
CID 71672282
(2S)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N,N-di(propan-2-yl)propanamide
CID 162807478
2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 163140442
N-(4-bromo-3-oxobutyl)-2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide
CID 114038289
N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 15986677
calcium;2-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid;hydride
CID 173148505
N,N-di(propan-2-yl)triazole-2-carboxamide
CID 142418545
2,3,4,5,6-pentafluoro-N,N-di(propan-2-yl)benzamide
CID 4575377
2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
CID 89122831
bromo(trifluoro)methane;propan-2-one
CID 174337129

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide (CID 71673125) is 2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide is CC(C)N(C(=O)C(Br)(C(F)(F)F)C(F)(F)F)C(C)C.
What is the InChIKey of 2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide?
The InChIKey is YRGOUEYNLZDJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrF6NO/c1-5(2)18(6(3)4)7(19)8(11,9(12,13)14)10(15,16)17/h5-6H,1-4H3.
What are the key properties of 2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide?
2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide has a molecular weight of 358.12 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,3,3-trifluoro-N,N-di(propan-2-yl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 71673125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).