[3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone

C15H6F6N2O2 — CID 23635781

IUPAC[3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1nc2cc(C(F)(F)F)ccc2nc1C(F)(F)F
InChIInChI=1S/C15H6F6N2O2/c16-14(17,18)7-3-4-8-9(6-7)22-11(13(23-8)15(19,20)21)12(24)10-2-1-5-25-10/h1-6H
InChIKeyZDNXKSJIEIBVFJ-UHFFFAOYSA-N
MW360.21 g/mol
LogP4.49
Rot. Bonds2

About [3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone

[3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone (PubChem CID 23635781) has the molecular formula C15H6F6N2O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is [3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone
PubChem CID23635781
Molecular FormulaC15H6F6N2O2
Molecular Weight360.21 g/mol
Exact Mass360.03
IUPAC Name[3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1nc2cc(C(F)(F)F)ccc2nc1C(F)(F)F
InChIInChI=1S/C15H6F6N2O2/c16-14(17,18)7-3-4-8-9(6-7)22-11(13(23-8)15(19,20)21)12(24)10-2-1-5-25-10/h1-6H
InChIKeyZDNXKSJIEIBVFJ-UHFFFAOYSA-N
XLogP4.49
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 1037240
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CID 3075484
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CID 124404
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CID 3884225
CID 3884225
CID 23635777
CID 23635777
CID 23635778
CID 23635778
CID 23635779
CID 23635779
CID 23635780
CID 23635780
CID 145987121
CID 145987121
CID 177645536
CID 177645536
CID 129876863
CID 129876863
CID 54612695
CID 54612695

Frequently Asked Questions

What is the IUPAC name of [3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone (CID 23635781) is [3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone is O=C(c1ccco1)c1nc2cc(C(F)(F)F)ccc2nc1C(F)(F)F.
What is the InChIKey of [3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone?
The InChIKey is ZDNXKSJIEIBVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F6N2O2/c16-14(17,18)7-3-4-8-9(6-7)22-11(13(23-8)15(19,20)21)12(24)10-2-1-5-25-10/h1-6H.
What are the key properties of [3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone?
[3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone has a molecular weight of 360.21 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,7-bis(trifluoromethyl)quinoxalin-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 23635781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).