N-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine

C8H15ClFN — CID 80694169

IUPACN-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine
SMILESFCCNCC1CCCC1Cl
InChIInChI=1S/C8H15ClFN/c9-8-3-1-2-7(8)6-11-5-4-10/h7-8,11H,1-6H2
InChIKeyAQDHSXZTNFNYGX-UHFFFAOYSA-N
MW179.67 g/mol
LogP1.95
Rot. Bonds4

About N-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine

N-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine (PubChem CID 80694169) has the molecular formula C8H15ClFN and a molecular weight of 179.67 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine
PubChem CID80694169
Molecular FormulaC8H15ClFN
Molecular Weight179.67 g/mol
Exact Mass179.09
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine
SMILESFCCNCC1CCCC1Cl
InChIInChI=1S/C8H15ClFN/c9-8-3-1-2-7(8)6-11-5-4-10/h7-8,11H,1-6H2
InChIKeyAQDHSXZTNFNYGX-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine (CID 80694169) is N-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine is FCCNCC1CCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine?
The InChIKey is AQDHSXZTNFNYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClFN/c9-8-3-1-2-7(8)6-11-5-4-10/h7-8,11H,1-6H2.
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine?
N-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine has a molecular weight of 179.67 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine is sourced from PubChem (CID 80694169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).