N-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide

C9H13BrF3NO — CID 106366381

IUPACN-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NC1CCCC1CBr
InChIInChI=1S/C9H13BrF3NO/c10-5-6-2-1-3-7(6)14-8(15)4-9(11,12)13/h6-7H,1-5H2,(H,14,15)
InChIKeyRJDLYCDJZQXHDV-UHFFFAOYSA-N
MW288.11 g/mol
LogP2.62
Rot. Bonds3

About N-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide

N-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide (PubChem CID 106366381) has the molecular formula C9H13BrF3NO and a molecular weight of 288.11 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide
PubChem CID106366381
Molecular FormulaC9H13BrF3NO
Molecular Weight288.11 g/mol
Exact Mass287.01
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NC1CCCC1CBr
InChIInChI=1S/C9H13BrF3NO/c10-5-6-2-1-3-7(6)14-8(15)4-9(11,12)13/h6-7H,1-5H2,(H,14,15)
InChIKeyRJDLYCDJZQXHDV-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide (CID 106366381) is N-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NC1CCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide?
The InChIKey is RJDLYCDJZQXHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrF3NO/c10-5-6-2-1-3-7(6)14-8(15)4-9(11,12)13/h6-7H,1-5H2,(H,14,15).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide?
N-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide has a molecular weight of 288.11 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 106366381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).