2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride

C15H17Cl2FN2O — CID 172642974

IUPAC2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCOC1c1cncc(-c2ccccc2F)c1
InChIInChI=1S/C15H15FN2O.2ClH/c16-13-4-2-1-3-12(13)10-7-11(9-18-8-10)15-14(17)5-6-19-15;;/h1-4,7-9,14-15H,5-6,17H2;2*1H
InChIKeyAPYZLPMIIVMBBY-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.52
Rot. Bonds2

About 2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride

2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride (PubChem CID 172642974) has the molecular formula C15H17Cl2FN2O and a molecular weight of 331.22 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride
PubChem CID172642974
Molecular FormulaC15H17Cl2FN2O
Molecular Weight331.22 g/mol
Exact Mass330.07
IUPAC Name2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCOC1c1cncc(-c2ccccc2F)c1
InChIInChI=1S/C15H15FN2O.2ClH/c16-13-4-2-1-3-12(13)10-7-11(9-18-8-10)15-14(17)5-6-19-15;;/h1-4,7-9,14-15H,5-6,17H2;2*1H
InChIKeyAPYZLPMIIVMBBY-UHFFFAOYSA-N
XLogP3.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride?
The IUPAC name of 2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride (CID 172642974) is 2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride?
The canonical SMILES for 2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride is Cl.Cl.NC1CCOC1c1cncc(-c2ccccc2F)c1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride?
The InChIKey is APYZLPMIIVMBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O.2ClH/c16-13-4-2-1-3-12(13)10-7-11(9-18-8-10)15-14(17)5-6-19-15;;/h1-4,7-9,14-15H,5-6,17H2;2*1H.
What are the key properties of 2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride?
2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride has a molecular weight of 331.22 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-3-pyridinyl]oxolan-3-amine;dihydrochloride is sourced from PubChem (CID 172642974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).