4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C18H13F6NO2 — CID 87429760

IUPAC4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1(c2ccccc2C(F)(F)F)COC(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F6NO2/c1-16(11-6-2-3-7-12(11)17(19,20)21)10-27-15(26)25(16)14-9-5-4-8-13(14)18(22,23)24/h2-9H,10H2,1H3
InChIKeyCBUVXKQBRKTCSM-UHFFFAOYSA-N
MW389.30 g/mol
LogP5.60
Rot. Bonds2

About 4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 87429760) has the molecular formula C18H13F6NO2 and a molecular weight of 389.30 g/mol. Its IUPAC name is 4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID87429760
Molecular FormulaC18H13F6NO2
Molecular Weight389.30 g/mol
Exact Mass389.09
IUPAC Name4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1(c2ccccc2C(F)(F)F)COC(=O)N1c1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F6NO2/c1-16(11-6-2-3-7-12(11)17(19,20)21)10-27-15(26)25(16)14-9-5-4-8-13(14)18(22,23)24/h2-9H,10H2,1H3
InChIKeyCBUVXKQBRKTCSM-UHFFFAOYSA-N
XLogP5.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.30
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 87429760) is 4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is CC1(c2ccccc2C(F)(F)F)COC(=O)N1c1ccccc1C(F)(F)F.
What is the InChIKey of 4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is CBUVXKQBRKTCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6NO2/c1-16(11-6-2-3-7-12(11)17(19,20)21)10-27-15(26)25(16)14-9-5-4-8-13(14)18(22,23)24/h2-9H,10H2,1H3.
What are the key properties of 4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 389.30 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 87429760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).