(5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one

C13H13F3O3 — CID 122380842

IUPAC(5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one
SMILESCOc1ccc([C@]2(CC(F)(F)F)CCC(=O)O2)cc1
InChIInChI=1S/C13H13F3O3/c1-18-10-4-2-9(3-5-10)12(8-13(14,15)16)7-6-11(17)19-12/h2-5H,6-8H2,1H3/t12-/m1/s1
InChIKeyHJNMDNIMWCDXKV-GFCCVEGCSA-N
MW274.24 g/mol
LogP3.18
Rot. Bonds3

About (5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one

(5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one (PubChem CID 122380842) has the molecular formula C13H13F3O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is (5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one
PubChem CID122380842
Molecular FormulaC13H13F3O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name(5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one
SMILESCOc1ccc([C@]2(CC(F)(F)F)CCC(=O)O2)cc1
InChIInChI=1S/C13H13F3O3/c1-18-10-4-2-9(3-5-10)12(8-13(14,15)16)7-6-11(17)19-12/h2-5H,6-8H2,1H3/t12-/m1/s1
InChIKeyHJNMDNIMWCDXKV-GFCCVEGCSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-6-(bromomethyl)-6-(4-methoxyphenyl)oxan-2-one
CID 102342730
methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate
CID 7056870
2-ethyl-2-(4-methoxyphenyl)oxirane
CID 62772995
[2-(4-methoxyphenyl)oxetan-2-yl]methanol
CID 117258820
5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one
CID 11345954
(4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one
CID 102142146
5-(4-methoxyphenyl)-3-methylidene-5-(naphthalen-2-yloxymethyl)oxolan-2-one
CID 102009299
benzyl 2-(4-methoxyphenyl)sulfanyl-5-oxooxolane-2-carboxylate
CID 14477537
(6R)-6-(4-fluorophenyl)-6-(iodomethyl)oxan-2-one
CID 57407556
(4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one
CID 102284704
(2R)-2-(4-methoxyphenyl)-2-(trifluoromethyl)aziridine
CID 102100873
3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one
CID 135072532

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one?
The IUPAC name of (5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one (CID 122380842) is (5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one.
What is the SMILES notation for (5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one?
The canonical SMILES for (5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one is COc1ccc([C@]2(CC(F)(F)F)CCC(=O)O2)cc1.
What is the InChIKey of (5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one?
The InChIKey is HJNMDNIMWCDXKV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H13F3O3/c1-18-10-4-2-9(3-5-10)12(8-13(14,15)16)7-6-11(17)19-12/h2-5H,6-8H2,1H3/t12-/m1/s1.
What are the key properties of (5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one?
(5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one has a molecular weight of 274.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one is sourced from PubChem (CID 122380842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).