N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide

C8H10BrF6NO — CID 107492593

IUPACN-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide
SMILESO=C(CCC(F)(F)F)N(CCBr)CC(F)(F)F
InChIInChI=1S/C8H10BrF6NO/c9-3-4-16(5-8(13,14)15)6(17)1-2-7(10,11)12/h1-5H2
InChIKeyCWQJLGZHFPUWIR-UHFFFAOYSA-N
MW330.07 g/mol
LogP3.11
Rot. Bonds5

About N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide

N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 107492593) has the molecular formula C8H10BrF6NO and a molecular weight of 330.07 g/mol. Its IUPAC name is N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID107492593
Molecular FormulaC8H10BrF6NO
Molecular Weight330.07 g/mol
Exact Mass328.98
IUPAC NameN-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide
SMILESO=C(CCC(F)(F)F)N(CCBr)CC(F)(F)F
InChIInChI=1S/C8H10BrF6NO/c9-3-4-16(5-8(13,14)15)6(17)1-2-7(10,11)12/h1-5H2
InChIKeyCWQJLGZHFPUWIR-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.07
LogP ≤ 53.11
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

N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)heptanamide
CID 107492554
N-(2-bromoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 107492515
N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107492479
N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide
CID 80659519
4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79203920
N-(2-bromoethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107492651
N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107492483
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107492053
N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107492455
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 107492513
N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 107492685
N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 63307840

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide (CID 107492593) is N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide is O=C(CCC(F)(F)F)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is CWQJLGZHFPUWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF6NO/c9-3-4-16(5-8(13,14)15)6(17)1-2-7(10,11)12/h1-5H2.
What are the key properties of N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide?
N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 330.07 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 107492593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).