N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine

C9H15BrF3N — CID 80672445

IUPACN-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine
SMILESFC(F)(F)CN(CCBr)C1CCCC1
InChIInChI=1S/C9H15BrF3N/c10-5-6-14(7-9(11,12)13)8-3-1-2-4-8/h8H,1-7H2
InChIKeyQLYUTHIJQHNLGK-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.19
Rot. Bonds4

About N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine

N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine (PubChem CID 80672445) has the molecular formula C9H15BrF3N and a molecular weight of 274.12 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine
PubChem CID80672445
Molecular FormulaC9H15BrF3N
Molecular Weight274.12 g/mol
Exact Mass273.03
IUPAC NameN-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine
SMILESFC(F)(F)CN(CCBr)C1CCCC1
InChIInChI=1S/C9H15BrF3N/c10-5-6-14(7-9(11,12)13)8-3-1-2-4-8/h8H,1-7H2
InChIKeyQLYUTHIJQHNLGK-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.19
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-(2,2,2-trifluoroethyl)cyclopentanamine?
The IUPAC name of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine (CID 80672445) is N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine is FC(F)(F)CN(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine?
The InChIKey is QLYUTHIJQHNLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrF3N/c10-5-6-14(7-9(11,12)13)8-3-1-2-4-8/h8H,1-7H2.
What are the key properties of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine?
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)cyclopentanamine has a molecular weight of 274.12 g/mol, XLogP of 3.19, 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-(2,2,2-trifluoroethyl)cyclopentanamine is sourced from PubChem (CID 80672445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).