N-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide

C11H17BrF3NO2 — CID 103212531

IUPACN-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCC1CCCC1Br
InChIInChI=1S/C11H17BrF3NO2/c12-9-3-1-2-8(9)6-16-10(17)4-5-18-7-11(13,14)15/h8-9H,1-7H2,(H,16,17)
InChIKeyVNOIASVCFDHYJY-UHFFFAOYSA-N
MW332.16 g/mol
LogP2.64
Rot. Bonds6

About N-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103212531) has the molecular formula C11H17BrF3NO2 and a molecular weight of 332.16 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103212531
Molecular FormulaC11H17BrF3NO2
Molecular Weight332.16 g/mol
Exact Mass331.04
IUPAC NameN-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCC1CCCC1Br
InChIInChI=1S/C11H17BrF3NO2/c12-9-3-1-2-8(9)6-16-10(17)4-5-18-7-11(13,14)15/h8-9H,1-7H2,(H,16,17)
InChIKeyVNOIASVCFDHYJY-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103280152
2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide
CID 107362626
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212934
N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208692
N-(2-amino-2-sulfanylideneethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208314
N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
CID 114312260
tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate
CID 114313805
N-(2-bromo-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107156756
2-[[3-(2,2-difluoroethoxy)propanoylamino]methyl]cyclopentane-1-carboxylic acid
CID 103206084
N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
CID 114313732
N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103512606
N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212739

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103212531) is N-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NCC1CCCC1Br.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is VNOIASVCFDHYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrF3NO2/c12-9-3-1-2-8(9)6-16-10(17)4-5-18-7-11(13,14)15/h8-9H,1-7H2,(H,16,17).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 332.16 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103212531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).