(4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one

C11H9F3O2 — CID 71698017

IUPAC(4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one
SMILESO=C1C[C@H](c2cccc(C(F)(F)F)c2)CO1
InChIInChI=1S/C11H9F3O2/c12-11(13,14)9-3-1-2-7(4-9)8-5-10(15)16-6-8/h1-4,8H,5-6H2/t8-/m0/s1
InChIKeyXTCCMVUNFPTMSI-QMMMGPOBSA-N
MW230.18 g/mol
LogP2.74
Rot. Bonds1

About (4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one

(4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one (PubChem CID 71698017) has the molecular formula C11H9F3O2 and a molecular weight of 230.18 g/mol. Its IUPAC name is (4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one
PubChem CID71698017
Molecular FormulaC11H9F3O2
Molecular Weight230.18 g/mol
Exact Mass230.06
IUPAC Name(4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one
SMILESO=C1C[C@H](c2cccc(C(F)(F)F)c2)CO1
InChIInChI=1S/C11H9F3O2/c12-11(13,14)9-3-1-2-7(4-9)8-5-10(15)16-6-8/h1-4,8H,5-6H2/t8-/m0/s1
InChIKeyXTCCMVUNFPTMSI-QMMMGPOBSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one?
The IUPAC name of (4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one (CID 71698017) is (4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one.
What is the SMILES notation for (4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one?
The canonical SMILES for (4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one is O=C1C[C@H](c2cccc(C(F)(F)F)c2)CO1.
What is the InChIKey of (4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one?
The InChIKey is XTCCMVUNFPTMSI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H9F3O2/c12-11(13,14)9-3-1-2-7(4-9)8-5-10(15)16-6-8/h1-4,8H,5-6H2/t8-/m0/s1.
What are the key properties of (4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one?
(4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one has a molecular weight of 230.18 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one is sourced from PubChem (CID 71698017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).