3-(2-fluorophenyl)oxetan-3-amine;hydrochloride

C9H11ClFNO — CID 53256982

IUPAC3-(2-fluorophenyl)oxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ccccc2F)COC1
InChIInChI=1S/C9H10FNO.ClH/c10-8-4-2-1-3-7(8)9(11)5-12-6-9;/h1-4H,5-6,11H2;1H
InChIKeyHPEXYLYWHONDCK-UHFFFAOYSA-N
MW203.64 g/mol
LogP1.43
Rot. Bonds1

About 3-(2-fluorophenyl)oxetan-3-amine;hydrochloride

3-(2-fluorophenyl)oxetan-3-amine;hydrochloride (PubChem CID 53256982) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 3-(2-fluorophenyl)oxetan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(2-fluorophenyl)oxetan-3-amine;hydrochloride
PubChem CID53256982
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name3-(2-fluorophenyl)oxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ccccc2F)COC1
InChIInChI=1S/C9H10FNO.ClH/c10-8-4-2-1-3-7(8)9(11)5-12-6-9;/h1-4H,5-6,11H2;1H
InChIKeyHPEXYLYWHONDCK-UHFFFAOYSA-N
XLogP1.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)oxetan-3-amine;hydrochloride?
The IUPAC name of 3-(2-fluorophenyl)oxetan-3-amine;hydrochloride (CID 53256982) is 3-(2-fluorophenyl)oxetan-3-amine;hydrochloride.
What is the SMILES notation for 3-(2-fluorophenyl)oxetan-3-amine;hydrochloride?
The canonical SMILES for 3-(2-fluorophenyl)oxetan-3-amine;hydrochloride is Cl.NC1(c2ccccc2F)COC1.
What is the InChIKey of 3-(2-fluorophenyl)oxetan-3-amine;hydrochloride?
The InChIKey is HPEXYLYWHONDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO.ClH/c10-8-4-2-1-3-7(8)9(11)5-12-6-9;/h1-4H,5-6,11H2;1H.
What are the key properties of 3-(2-fluorophenyl)oxetan-3-amine;hydrochloride?
3-(2-fluorophenyl)oxetan-3-amine;hydrochloride has a molecular weight of 203.64 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)oxetan-3-amine;hydrochloride is sourced from PubChem (CID 53256982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).