N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide

C10H15BrF3NO — CID 102638433

IUPACN-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(C(=O)CC(F)(F)F)C1CCCCC1Br
InChIInChI=1S/C10H15BrF3NO/c1-15(9(16)6-10(12,13)14)8-5-3-2-4-7(8)11/h7-8H,2-6H2,1H3
InChIKeyIAOXETPALPVQGP-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.10
Rot. Bonds2

About N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide

N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 102638433) has the molecular formula C10H15BrF3NO and a molecular weight of 302.13 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide
PubChem CID102638433
Molecular FormulaC10H15BrF3NO
Molecular Weight302.13 g/mol
Exact Mass301.03
IUPAC NameN-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(C(=O)CC(F)(F)F)C1CCCCC1Br
InChIInChI=1S/C10H15BrF3NO/c1-15(9(16)6-10(12,13)14)8-5-3-2-4-7(8)11/h7-8H,2-6H2,1H3
InChIKeyIAOXETPALPVQGP-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.10
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-bromocyclohexyl)-N,3,3-trimethylbutanamide
CID 102638498
N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide
CID 102638469
N-(2-bromocyclohexyl)-N-methylbutanamide
CID 102638315
N-(2-bromocyclohexyl)-N-methylacetamide
CID 102638316
N-(2-bromocyclohexyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 102638421
2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 102637217
N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide
CID 102638440
3-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
CID 102632066
N-methyl-N-(2-methylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958112
N-(2-bromocyclohexyl)-N-methyl-2-methylsulfonylpropanamide
CID 102638294
N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 80659104
N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 102638431

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide?
The IUPAC name of N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide (CID 102638433) is N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide?
The canonical SMILES for N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide is CN(C(=O)CC(F)(F)F)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide?
The InChIKey is IAOXETPALPVQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrF3NO/c1-15(9(16)6-10(12,13)14)8-5-3-2-4-7(8)11/h7-8H,2-6H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide?
N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 302.13 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 102638433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).