(4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one

C10H10F3NO2 — CID 143702882

IUPAC(4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](C2=CC=CC(C(F)(F)F)C2)CO1
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8-5-16-9(15)14-8/h1-3,7-8H,4-5H2,(H,14,15)/t7?,8-/m1/s1
InChIKeyRWAXXXUKYAPTHO-BRFYHDHCSA-N
MW233.19 g/mol
LogP2.16
Rot. Bonds1

About (4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one

(4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one (PubChem CID 143702882) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is (4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one
PubChem CID143702882
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name(4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](C2=CC=CC(C(F)(F)F)C2)CO1
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8-5-16-9(15)14-8/h1-3,7-8H,4-5H2,(H,14,15)/t7?,8-/m1/s1
InChIKeyRWAXXXUKYAPTHO-BRFYHDHCSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one (CID 143702882) is (4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one is O=C1N[C@@H](C2=CC=CC(C(F)(F)F)C2)CO1.
What is the InChIKey of (4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one?
The InChIKey is RWAXXXUKYAPTHO-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8-5-16-9(15)14-8/h1-3,7-8H,4-5H2,(H,14,15)/t7?,8-/m1/s1.
What are the key properties of (4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one?
(4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one has a molecular weight of 233.19 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143702882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).