N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide

C12H19BrF3NO — CID 80659519

IUPACN-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)N(CCBr)C1CCCCC1
InChIInChI=1S/C12H19BrF3NO/c13-8-9-17(10-4-2-1-3-5-10)11(18)6-7-12(14,15)16/h10H,1-9H2
InChIKeyRXYQALZSTNVMPQ-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.89
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide

N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide (PubChem CID 80659519) has the molecular formula C12H19BrF3NO and a molecular weight of 330.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide
PubChem CID80659519
Molecular FormulaC12H19BrF3NO
Molecular Weight330.19 g/mol
Exact Mass329.06
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)N(CCBr)C1CCCCC1
InChIInChI=1S/C12H19BrF3NO/c13-8-9-17(10-4-2-1-3-5-10)11(18)6-7-12(14,15)16/h10H,1-9H2
InChIKeyRXYQALZSTNVMPQ-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
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

N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 80659104
N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102873270
N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide
CID 80658610
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
CID 102873056
3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102861214
N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide
CID 102873226
N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
CID 80659612
N-(3-bromopropyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102872516
N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butanamide
CID 107492593
N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 80659219

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide (CID 80659519) is N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide?
The InChIKey is RXYQALZSTNVMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrF3NO/c13-8-9-17(10-4-2-1-3-5-10)11(18)6-7-12(14,15)16/h10H,1-9H2.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide?
N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide has a molecular weight of 330.19 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide is sourced from PubChem (CID 80659519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).