2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide

C9H13BrF3NO — CID 63679501

IUPAC2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CBr)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H13BrF3NO/c10-5-8(15)14-7-3-1-6(2-4-7)9(11,12)13/h6-7H,1-5H2,(H,14,15)
InChIKeyJZYUOKMZDRHBAA-UHFFFAOYSA-N
MW288.11 g/mol
LogP2.62
Rot. Bonds2

About 2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide

2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 63679501) has the molecular formula C9H13BrF3NO and a molecular weight of 288.11 g/mol. Its IUPAC name is 2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID63679501
Molecular FormulaC9H13BrF3NO
Molecular Weight288.11 g/mol
Exact Mass287.01
IUPAC Name2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CBr)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H13BrF3NO/c10-5-8(15)14-7-3-1-6(2-4-7)9(11,12)13/h6-7H,1-5H2,(H,14,15)
InChIKeyJZYUOKMZDRHBAA-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 52.62
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

5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 114014776
3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 43701255
5-hydroxy-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 79199848
2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 60718312
4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524479
2-(1-hydroxycyclohexyl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 111331748
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 62856040
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 119701811
2-[4-[(2-bromoacetyl)amino]cycloheptyl]-N-methylacetamide
CID 156573453
3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 107980263
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
N-cyclopropyl-3-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126783084

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 63679501) is 2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide is O=C(CBr)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is JZYUOKMZDRHBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrF3NO/c10-5-8(15)14-7-3-1-6(2-4-7)9(11,12)13/h6-7H,1-5H2,(H,14,15).
What are the key properties of 2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 288.11 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 63679501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).