N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride

C9H17ClFNO — CID 171397069

IUPACN-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride
SMILESCl.FC1CC(NC2CCOCC2)C1
InChIInChI=1S/C9H16FNO.ClH/c10-7-5-9(6-7)11-8-1-3-12-4-2-8;/h7-9,11H,1-6H2;1H
InChIKeyODGIMKIAFSVPIA-UHFFFAOYSA-N
MW209.69 g/mol
LogP1.68
Rot. Bonds2

About N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride

N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride (PubChem CID 171397069) has the molecular formula C9H17ClFNO and a molecular weight of 209.69 g/mol. Its IUPAC name is N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride
PubChem CID171397069
Molecular FormulaC9H17ClFNO
Molecular Weight209.69 g/mol
Exact Mass209.10
IUPAC NameN-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride
SMILESCl.FC1CC(NC2CCOCC2)C1
InChIInChI=1S/C9H16FNO.ClH/c10-7-5-9(6-7)11-8-1-3-12-4-2-8;/h7-9,11H,1-6H2;1H
InChIKeyODGIMKIAFSVPIA-UHFFFAOYSA-N
XLogP1.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.69
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride?
The IUPAC name of N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride (CID 171397069) is N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride.
What is the SMILES notation for N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride?
The canonical SMILES for N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride is Cl.FC1CC(NC2CCOCC2)C1.
What is the InChIKey of N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride?
The InChIKey is ODGIMKIAFSVPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO.ClH/c10-7-5-9(6-7)11-8-1-3-12-4-2-8;/h7-9,11H,1-6H2;1H.
What are the key properties of N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride?
N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride has a molecular weight of 209.69 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride is sourced from PubChem (CID 171397069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).