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

C10H12Cl2F4N2O — CID 162339173

IUPAC3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ncc(C(F)(F)F)cc2F)CCOC1
InChIInChI=1S/C10H10F4N2O.2ClH/c11-7-3-6(10(12,13)14)4-16-8(7)9(15)1-2-17-5-9;;/h3-4H,1-2,5,15H2;2*1H
InChIKeyUYKYJSFHCIWJGV-UHFFFAOYSA-N
MW323.12 g/mol
LogP2.66
Rot. Bonds1

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

3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine;dihydrochloride (PubChem CID 162339173) has the molecular formula C10H12Cl2F4N2O and a molecular weight of 323.12 g/mol. Its IUPAC name is 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine;dihydrochloride
PubChem CID162339173
Molecular FormulaC10H12Cl2F4N2O
Molecular Weight323.12 g/mol
Exact Mass322.03
IUPAC Name3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ncc(C(F)(F)F)cc2F)CCOC1
InChIInChI=1S/C10H10F4N2O.2ClH/c11-7-3-6(10(12,13)14)4-16-8(7)9(15)1-2-17-5-9;;/h3-4H,1-2,5,15H2;2*1H
InChIKeyUYKYJSFHCIWJGV-UHFFFAOYSA-N
XLogP2.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine;dihydrochloride?
The IUPAC name of 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine;dihydrochloride (CID 162339173) is 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine;dihydrochloride.
What is the SMILES notation for 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine;dihydrochloride?
The canonical SMILES for 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine;dihydrochloride is Cl.Cl.NC1(c2ncc(C(F)(F)F)cc2F)CCOC1.
What is the InChIKey of 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine;dihydrochloride?
The InChIKey is UYKYJSFHCIWJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O.2ClH/c11-7-3-6(10(12,13)14)4-16-8(7)9(15)1-2-17-5-9;;/h3-4H,1-2,5,15H2;2*1H.
What are the key properties of 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine;dihydrochloride?
3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine;dihydrochloride has a molecular weight of 323.12 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine;dihydrochloride is sourced from PubChem (CID 162339173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).