1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine

C8H13ClF3N — CID 65026213

IUPAC1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
SMILESFC(F)(F)CNC1(CCl)CCCC1
InChIInChI=1S/C8H13ClF3N/c9-5-7(3-1-2-4-7)13-6-8(10,11)12/h13H,1-6H2
InChIKeyQCYCXQVOYBAXCL-UHFFFAOYSA-N
MW215.65 g/mol
LogP2.69
Rot. Bonds3

About 1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine

1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine (PubChem CID 65026213) has the molecular formula C8H13ClF3N and a molecular weight of 215.65 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
PubChem CID65026213
Molecular FormulaC8H13ClF3N
Molecular Weight215.65 g/mol
Exact Mass215.07
IUPAC Name1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
SMILESFC(F)(F)CNC1(CCl)CCCC1
InChIInChI=1S/C8H13ClF3N/c9-5-7(3-1-2-4-7)13-6-8(10,11)12/h13H,1-6H2
InChIKeyQCYCXQVOYBAXCL-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 52.69
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 1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine (CID 65026213) is 1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine is FC(F)(F)CNC1(CCl)CCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine?
The InChIKey is QCYCXQVOYBAXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3N/c9-5-7(3-1-2-4-7)13-6-8(10,11)12/h13H,1-6H2.
What are the key properties of 1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine?
1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine has a molecular weight of 215.65 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine is sourced from PubChem (CID 65026213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).