N-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine

C10H17BrF3N — CID 65002635

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CC(F)(F)F)CC1(CBr)CCCC1
InChIInChI=1S/C10H17BrF3N/c1-15(8-10(12,13)14)7-9(6-11)4-2-3-5-9/h2-8H2,1H3
InChIKeyIRKXFZBQDSPZBA-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.44
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine

N-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 65002635) has the molecular formula C10H17BrF3N and a molecular weight of 288.15 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID65002635
Molecular FormulaC10H17BrF3N
Molecular Weight288.15 g/mol
Exact Mass287.05
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CC(F)(F)F)CC1(CBr)CCCC1
InChIInChI=1S/C10H17BrF3N/c1-15(8-10(12,13)14)7-9(6-11)4-2-3-5-9/h2-8H2,1H3
InChIKeyIRKXFZBQDSPZBA-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.44
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-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine (CID 65002635) is N-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine is CN(CC(F)(F)F)CC1(CBr)CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is IRKXFZBQDSPZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3N/c1-15(8-10(12,13)14)7-9(6-11)4-2-3-5-9/h2-8H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 288.15 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 65002635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).