2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride

C6H13ClFNO — CID 122239796

IUPAC2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride
SMILESCl.NCC(F)C1CCOC1
InChIInChI=1S/C6H12FNO.ClH/c7-6(3-8)5-1-2-9-4-5;/h5-6H,1-4,8H2;1H
InChIKeyQBICVPWMCADHCC-UHFFFAOYSA-N
MW169.63 g/mol
LogP0.74
Rot. Bonds2

About 2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride

2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride (PubChem CID 122239796) has the molecular formula C6H13ClFNO and a molecular weight of 169.63 g/mol. Its IUPAC name is 2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride
PubChem CID122239796
Molecular FormulaC6H13ClFNO
Molecular Weight169.63 g/mol
Exact Mass169.07
IUPAC Name2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride
SMILESCl.NCC(F)C1CCOC1
InChIInChI=1S/C6H12FNO.ClH/c7-6(3-8)5-1-2-9-4-5;/h5-6H,1-4,8H2;1H
InChIKeyQBICVPWMCADHCC-UHFFFAOYSA-N
XLogP0.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.63
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride (CID 122239796) is 2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride is Cl.NCC(F)C1CCOC1.
What is the InChIKey of 2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride?
The InChIKey is QBICVPWMCADHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO.ClH/c7-6(3-8)5-1-2-9-4-5;/h5-6H,1-4,8H2;1H.
What are the key properties of 2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride?
2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride has a molecular weight of 169.63 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(oxolan-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 122239796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).