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

C7H13ClFN — CID 130646659

IUPAC2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine
SMILESFCCNC1CCCC1Cl
InChIInChI=1S/C7H13ClFN/c8-6-2-1-3-7(6)10-5-4-9/h6-7,10H,1-5H2
InChIKeyOIKDOKWCJVXYTM-UHFFFAOYSA-N
MW165.64 g/mol
LogP1.71
Rot. Bonds3

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

2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine (PubChem CID 130646659) has the molecular formula C7H13ClFN and a molecular weight of 165.64 g/mol. Its IUPAC name is 2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine
PubChem CID130646659
Molecular FormulaC7H13ClFN
Molecular Weight165.64 g/mol
Exact Mass165.07
IUPAC Name2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine
SMILESFCCNC1CCCC1Cl
InChIInChI=1S/C7H13ClFN/c8-6-2-1-3-7(6)10-5-4-9/h6-7,10H,1-5H2
InChIKeyOIKDOKWCJVXYTM-UHFFFAOYSA-N
XLogP1.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.64
LogP ≤ 51.71
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 2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine?
The IUPAC name of 2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine (CID 130646659) is 2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine?
The canonical SMILES for 2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine is FCCNC1CCCC1Cl.
What is the InChIKey of 2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine?
The InChIKey is OIKDOKWCJVXYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClFN/c8-6-2-1-3-7(6)10-5-4-9/h6-7,10H,1-5H2.
What are the key properties of 2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine?
2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine has a molecular weight of 165.64 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-fluoroethyl)cyclopentan-1-amine is sourced from PubChem (CID 130646659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).