1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one

C16H14F6N2O2 — CID 164631392

IUPAC1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one
SMILESO=c1c(C(F)(F)F)nc2ccc(C(F)(F)F)cc2n1CC[C@H]1CCCO1
InChIInChI=1S/C16H14F6N2O2/c17-15(18,19)9-3-4-11-12(8-9)24(6-5-10-2-1-7-26-10)14(25)13(23-11)16(20,21)22/h3-4,8,10H,1-2,5-7H2/t10-/m1/s1
InChIKeyVPUVPRPJJMTAKV-SNVBAGLBSA-N
MW380.29 g/mol
LogP4.00
Rot. Bonds3

About 1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one

1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one (PubChem CID 164631392) has the molecular formula C16H14F6N2O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one
PubChem CID164631392
Molecular FormulaC16H14F6N2O2
Molecular Weight380.29 g/mol
Exact Mass380.10
IUPAC Name1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one
SMILESO=c1c(C(F)(F)F)nc2ccc(C(F)(F)F)cc2n1CC[C@H]1CCCO1
InChIInChI=1S/C16H14F6N2O2/c17-15(18,19)9-3-4-11-12(8-9)24(6-5-10-2-1-7-26-10)14(25)13(23-11)16(20,21)22/h3-4,8,10H,1-2,5-7H2/t10-/m1/s1
InChIKeyVPUVPRPJJMTAKV-SNVBAGLBSA-N
XLogP4.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one?
The IUPAC name of 1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one (CID 164631392) is 1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one.
What is the SMILES notation for 1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one?
The canonical SMILES for 1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one is O=c1c(C(F)(F)F)nc2ccc(C(F)(F)F)cc2n1CC[C@H]1CCCO1.
What is the InChIKey of 1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one?
The InChIKey is VPUVPRPJJMTAKV-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14F6N2O2/c17-15(18,19)9-3-4-11-12(8-9)24(6-5-10-2-1-7-26-10)14(25)13(23-11)16(20,21)22/h3-4,8,10H,1-2,5-7H2/t10-/m1/s1.
What are the key properties of 1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one?
1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one has a molecular weight of 380.29 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one is sourced from PubChem (CID 164631392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).