N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide

C11H17BrF3NO — CID 102638469

IUPACN-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide
SMILESCN(C(=O)CCC(F)(F)F)C1CCCCC1Br
InChIInChI=1S/C11H17BrF3NO/c1-16(9-5-3-2-4-8(9)12)10(17)6-7-11(13,14)15/h8-9H,2-7H2,1H3
InChIKeyRXASKFZPOPTVDA-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.49
Rot. Bonds3

About N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide

N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide (PubChem CID 102638469) has the molecular formula C11H17BrF3NO and a molecular weight of 316.16 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide
PubChem CID102638469
Molecular FormulaC11H17BrF3NO
Molecular Weight316.16 g/mol
Exact Mass315.04
IUPAC NameN-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide
SMILESCN(C(=O)CCC(F)(F)F)C1CCCCC1Br
InChIInChI=1S/C11H17BrF3NO/c1-16(9-5-3-2-4-8(9)12)10(17)6-7-11(13,14)15/h8-9H,2-7H2,1H3
InChIKeyRXASKFZPOPTVDA-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.49
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)-3,3,3-trifluoro-N-methylpropanamide
CID 102638433
N-(2-bromocyclohexyl)-N-methylbutanamide
CID 102638315
N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide
CID 102638498
N-(2-bromocyclohexyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 102638421
N-(2-bromocyclohexyl)-N-methylacetamide
CID 102638316
2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 102637217
4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide
CID 79120537
N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide
CID 80659519
N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide
CID 102638440
N-methyl-N-(2-methylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958112
N-(2-bromocyclohexyl)-N-methyl-2-methylsulfonylpropanamide
CID 102638294
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)-4,4,4-trifluoro-N-methylbutanamide?
The IUPAC name of N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide (CID 102638469) is N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide?
The canonical SMILES for N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide is CN(C(=O)CCC(F)(F)F)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide?
The InChIKey is RXASKFZPOPTVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrF3NO/c1-16(9-5-3-2-4-8(9)12)10(17)6-7-11(13,14)15/h8-9H,2-7H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide?
N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide has a molecular weight of 316.16 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide is sourced from PubChem (CID 102638469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).