[2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride

C11H15ClFNO — CID 122360291

IUPAC[2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCOC1c1ccc(F)cc1
InChIInChI=1S/C11H14FNO.ClH/c12-10-3-1-8(2-4-10)11-9(7-13)5-6-14-11;/h1-4,9,11H,5-7,13H2;1H
InChIKeyINYUIBVYMWINPP-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.28
Rot. Bonds2

About [2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride

[2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride (PubChem CID 122360291) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is [2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride
PubChem CID122360291
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name[2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCOC1c1ccc(F)cc1
InChIInChI=1S/C11H14FNO.ClH/c12-10-3-1-8(2-4-10)11-9(7-13)5-6-14-11;/h1-4,9,11H,5-7,13H2;1H
InChIKeyINYUIBVYMWINPP-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride?
The IUPAC name of [2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride (CID 122360291) is [2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride?
The canonical SMILES for [2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride is Cl.NCC1CCOC1c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride?
The InChIKey is INYUIBVYMWINPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c12-10-3-1-8(2-4-10)11-9(7-13)5-6-14-11;/h1-4,9,11H,5-7,13H2;1H.
What are the key properties of [2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride?
[2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 122360291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).