N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide

C10H15BrF3NO — CID 80659104

IUPACN-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)N(CCBr)C1CCCC1
InChIInChI=1S/C10H15BrF3NO/c11-5-6-15(8-3-1-2-4-8)9(16)7-10(12,13)14/h8H,1-7H2
InChIKeyLUDMEQALWCYCMO-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.10
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide

N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide (PubChem CID 80659104) has the molecular formula C10H15BrF3NO and a molecular weight of 302.13 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
PubChem CID80659104
Molecular FormulaC10H15BrF3NO
Molecular Weight302.13 g/mol
Exact Mass301.03
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)N(CCBr)C1CCCC1
InChIInChI=1S/C10H15BrF3NO/c11-5-6-15(8-3-1-2-4-8)9(16)7-10(12,13)14/h8H,1-7H2
InChIKeyLUDMEQALWCYCMO-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide (CID 80659104) is N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide?
The InChIKey is LUDMEQALWCYCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrF3NO/c11-5-6-15(8-3-1-2-4-8)9(16)7-10(12,13)14/h8H,1-7H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide?
N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide has a molecular weight of 302.13 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide is sourced from PubChem (CID 80659104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).