4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline

C13H7F6NO — CID 39345774

IUPAC4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc([C@@H]2CO2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C13H7F6NO/c14-12(15,16)8-3-1-2-6-7(9-5-21-9)4-10(13(17,18)19)20-11(6)8/h1-4,9H,5H2/t9-/m0/s1
InChIKeyZRNRGGNAVKYDQA-VIFPVBQESA-N
MW307.19 g/mol
LogP4.34
Rot. Bonds1

About 4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline

4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline (PubChem CID 39345774) has the molecular formula C13H7F6NO and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline
PubChem CID39345774
Molecular FormulaC13H7F6NO
Molecular Weight307.19 g/mol
Exact Mass307.04
IUPAC Name4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc([C@@H]2CO2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C13H7F6NO/c14-12(15,16)8-3-1-2-6-7(9-5-21-9)4-10(13(17,18)19)20-11(6)8/h1-4,9H,5H2/t9-/m0/s1
InChIKeyZRNRGGNAVKYDQA-VIFPVBQESA-N
XLogP4.34
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline?
The IUPAC name of 4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline (CID 39345774) is 4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline?
The canonical SMILES for 4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline is FC(F)(F)c1cc([C@@H]2CO2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline?
The InChIKey is ZRNRGGNAVKYDQA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H7F6NO/c14-12(15,16)8-3-1-2-6-7(9-5-21-9)4-10(13(17,18)19)20-11(6)8/h1-4,9H,5H2/t9-/m0/s1.
What are the key properties of 4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline?
4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline has a molecular weight of 307.19 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-oxiran-2-yl]-2,8-bis(trifluoromethyl)quinoline is sourced from PubChem (CID 39345774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).