N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide

C7H11BrF3NO — CID 114313479

IUPACN-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide
SMILESCC(CBr)CNC(=O)CC(F)(F)F
InChIInChI=1S/C7H11BrF3NO/c1-5(3-8)4-12-6(13)2-7(9,10)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyBZYBLTPQKNCWBN-UHFFFAOYSA-N
MW262.07 g/mol
LogP2.09
Rot. Bonds4

About N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide

N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide (PubChem CID 114313479) has the molecular formula C7H11BrF3NO and a molecular weight of 262.07 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide
PubChem CID114313479
Molecular FormulaC7H11BrF3NO
Molecular Weight262.07 g/mol
Exact Mass261.00
IUPAC NameN-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide
SMILESCC(CBr)CNC(=O)CC(F)(F)F
InChIInChI=1S/C7H11BrF3NO/c1-5(3-8)4-12-6(13)2-7(9,10)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyBZYBLTPQKNCWBN-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.07
LogP ≤ 52.09
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-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide
CID 103770028
N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide
CID 114313529
N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide
CID 114313422
N-(3-bromo-2-methylpropyl)-3-cyclohexylpropanamide
CID 114313527
tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
CID 86601426
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide
CID 106153392
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261008
N-(4-hydroxy-2-methylbutyl)-3,3-dimethylbutanamide
CID 66106193
N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558264
N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
CID 114313551
N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide
CID 62657279

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide (CID 114313479) is N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide is CC(CBr)CNC(=O)CC(F)(F)F.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide?
The InChIKey is BZYBLTPQKNCWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrF3NO/c1-5(3-8)4-12-6(13)2-7(9,10)11/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide?
N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide has a molecular weight of 262.07 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 114313479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).