trans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine

C8H16FNO — CID 126847825

IUPACtrans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine
SMILESCOCCN[C@@H]1CCC[C@H]1F
InChIInChI=1S/C8H16FNO/c1-11-6-5-10-8-4-2-3-7(8)9/h7-8,10H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyQDOQVAZPHXSVHY-HTQZYQBOSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds4

About trans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine

trans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine (PubChem CID 126847825) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine
PubChem CID126847825
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Nametrans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine
SMILESCOCCN[C@@H]1CCC[C@H]1F
InChIInChI=1S/C8H16FNO/c1-11-6-5-10-8-4-2-3-7(8)9/h7-8,10H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyQDOQVAZPHXSVHY-HTQZYQBOSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)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 trans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine (CID 126847825) is trans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine is COCCN[C@@H]1CCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine?
The InChIKey is QDOQVAZPHXSVHY-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16FNO/c1-11-6-5-10-8-4-2-3-7(8)9/h7-8,10H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine?
trans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclopentan-1-amine is sourced from PubChem (CID 126847825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).