1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine

C8H15ClFN — CID 80695805

IUPAC1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine
SMILESFCCNC1(CCl)CCCC1
InChIInChI=1S/C8H15ClFN/c9-7-8(11-6-5-10)3-1-2-4-8/h11H,1-7H2
InChIKeyGKURQCCXBDWMLS-UHFFFAOYSA-N
MW179.67 g/mol
LogP2.10
Rot. Bonds4

About 1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine

1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine (PubChem CID 80695805) has the molecular formula C8H15ClFN and a molecular weight of 179.67 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine
PubChem CID80695805
Molecular FormulaC8H15ClFN
Molecular Weight179.67 g/mol
Exact Mass179.09
IUPAC Name1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine
SMILESFCCNC1(CCl)CCCC1
InChIInChI=1S/C8H15ClFN/c9-7-8(11-6-5-10)3-1-2-4-8/h11H,1-7H2
InChIKeyGKURQCCXBDWMLS-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.67
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine (CID 80695805) is 1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine is FCCNC1(CCl)CCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine?
The InChIKey is GKURQCCXBDWMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClFN/c9-7-8(11-6-5-10)3-1-2-4-8/h11H,1-7H2.
What are the key properties of 1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine?
1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine has a molecular weight of 179.67 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine is sourced from PubChem (CID 80695805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).