1-(2-fluoroethoxymethyl)cyclopentan-1-amine

C8H16FNO — CID 80694622

IUPAC1-(2-fluoroethoxymethyl)cyclopentan-1-amine
SMILESNC1(COCCF)CCCC1
InChIInChI=1S/C8H16FNO/c9-5-6-11-7-8(10)3-1-2-4-8/h1-7,10H2
InChIKeyOADKGJZVBJYWPR-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.24
Rot. Bonds4

About 1-(2-fluoroethoxymethyl)cyclopentan-1-amine

1-(2-fluoroethoxymethyl)cyclopentan-1-amine (PubChem CID 80694622) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-(2-fluoroethoxymethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-fluoroethoxymethyl)cyclopentan-1-amine
PubChem CID80694622
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-(2-fluoroethoxymethyl)cyclopentan-1-amine
SMILESNC1(COCCF)CCCC1
InChIInChI=1S/C8H16FNO/c9-5-6-11-7-8(10)3-1-2-4-8/h1-7,10H2
InChIKeyOADKGJZVBJYWPR-UHFFFAOYSA-N
XLogP1.24
TPSA35.25 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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxymethyl)cyclopentan-1-amine?
The IUPAC name of 1-(2-fluoroethoxymethyl)cyclopentan-1-amine (CID 80694622) is 1-(2-fluoroethoxymethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2-fluoroethoxymethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2-fluoroethoxymethyl)cyclopentan-1-amine is NC1(COCCF)CCCC1.
What is the InChIKey of 1-(2-fluoroethoxymethyl)cyclopentan-1-amine?
The InChIKey is OADKGJZVBJYWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-5-6-11-7-8(10)3-1-2-4-8/h1-7,10H2.
What are the key properties of 1-(2-fluoroethoxymethyl)cyclopentan-1-amine?
1-(2-fluoroethoxymethyl)cyclopentan-1-amine has a molecular weight of 161.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxymethyl)cyclopentan-1-amine is sourced from PubChem (CID 80694622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).