2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C8H10BrF6NO — CID 163140442

IUPAC2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCC[C@@H](C)NC(=O)C(Br)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10BrF6NO/c1-3-4(2)16-5(17)6(9,7(10,11)12)8(13,14)15/h4H,3H2,1-2H3,(H,16,17)/t4-/m1/s1
InChIKeyJOUQNOGCASWRSP-SCSAIBSYSA-N
MW330.07 g/mol
LogP3.16
Rot. Bonds3

About 2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 163140442) has the molecular formula C8H10BrF6NO and a molecular weight of 330.07 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID163140442
Molecular FormulaC8H10BrF6NO
Molecular Weight330.07 g/mol
Exact Mass328.98
IUPAC Name2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCC[C@@H](C)NC(=O)C(Br)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10BrF6NO/c1-3-4(2)16-5(17)6(9,7(10,11)12)8(13,14)15/h4H,3H2,1-2H3,(H,16,17)/t4-/m1/s1
InChIKeyJOUQNOGCASWRSP-SCSAIBSYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.07
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 3588417
N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide
CID 3326094
N-butan-2-yl-2,2-difluoro-2-phenylacetamide
CID 164554338
N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide
CID 163138483
N-butan-2-yl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748455
N-[(2S)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 7039939
1-butan-2-yl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 3851301
1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
CID 2276888
N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548261
N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958153
2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
CID 79790165
N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide
CID 113219551

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of 2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 163140442) is 2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for 2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is CC[C@@H](C)NC(=O)C(Br)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is JOUQNOGCASWRSP-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H10BrF6NO/c1-3-4(2)16-5(17)6(9,7(10,11)12)8(13,14)15/h4H,3H2,1-2H3,(H,16,17)/t4-/m1/s1.
What are the key properties of 2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 330.07 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-butan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 163140442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).