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

C10H10F4N2O — CID 126763855

IUPAC3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine
SMILESNC1(c2ncc(C(F)(F)F)cc2F)CCOC1
InChIInChI=1S/C10H10F4N2O/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
InChIKeyYYCCEDBGZZQXEG-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.81
Rot. Bonds1

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

3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine (PubChem CID 126763855) has the molecular formula C10H10F4N2O and a molecular weight of 250.19 g/mol. Its IUPAC name is 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine
PubChem CID126763855
Molecular FormulaC10H10F4N2O
Molecular Weight250.19 g/mol
Exact Mass250.07
IUPAC Name3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine
SMILESNC1(c2ncc(C(F)(F)F)cc2F)CCOC1
InChIInChI=1S/C10H10F4N2O/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
InChIKeyYYCCEDBGZZQXEG-UHFFFAOYSA-N
XLogP1.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.81
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?
The IUPAC name of 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine (CID 126763855) is 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine.
What is the SMILES notation for 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine?
The canonical SMILES for 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine is NC1(c2ncc(C(F)(F)F)cc2F)CCOC1.
What is the InChIKey of 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine?
The InChIKey is YYCCEDBGZZQXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O/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.
What are the key properties of 3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine?
3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-amine has a molecular weight of 250.19 g/mol, XLogP of 1.81, 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 is sourced from PubChem (CID 126763855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).