(4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one

C10H7F3O3 — CID 11020742

IUPAC(4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1O[C@H](c2ccccc2)[C@H](C(F)(F)F)O1
InChIInChI=1S/C10H7F3O3/c11-10(12,13)8-7(15-9(14)16-8)6-4-2-1-3-5-6/h1-5,7-8H/t7-,8-/m1/s1
InChIKeyDXXIZFCTWXTHON-HTQZYQBOSA-N
MW232.16 g/mol
LogP2.83
Rot. Bonds1

About (4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one

(4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 11020742) has the molecular formula C10H7F3O3 and a molecular weight of 232.16 g/mol. Its IUPAC name is (4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID11020742
Molecular FormulaC10H7F3O3
Molecular Weight232.16 g/mol
Exact Mass232.03
IUPAC Name(4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1O[C@H](c2ccccc2)[C@H](C(F)(F)F)O1
InChIInChI=1S/C10H7F3O3/c11-10(12,13)8-7(15-9(14)16-8)6-4-2-1-3-5-6/h1-5,7-8H/t7-,8-/m1/s1
InChIKeyDXXIZFCTWXTHON-HTQZYQBOSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-5-(trifluoromethyl)oxolan-2-one
CID 144706053
(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
CID 177461861
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
2-phenyl-3-(trifluoromethyl)-2H-furan-5-one
CID 11287612
4-isocyano-5-(trifluoromethyl)-1,3-dioxolan-2-one
CID 123668727
4-[[(5-tert-butyl-2-oxo-1,3-dioxolan-4-yl)-hydroxymethoxy]methyl]-5-phenyl-1,3-dioxolan-2-one
CID 57127731
4-[(3E)-penta-1,3-dien-3-yl]-5-phenyl-1,3-dioxolan-2-one
CID 144583665
2-phenyl-1,3-dioxane-4,6-dione;silane
CID 157111906
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide
CID 10492701
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
(4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 22214859

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of (4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one (CID 11020742) is (4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for (4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for (4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one is O=C1O[C@H](c2ccccc2)[C@H](C(F)(F)F)O1.
What is the InChIKey of (4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is DXXIZFCTWXTHON-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H7F3O3/c11-10(12,13)8-7(15-9(14)16-8)6-4-2-1-3-5-6/h1-5,7-8H/t7-,8-/m1/s1.
What are the key properties of (4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one?
(4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 232.16 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-phenyl-5-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 11020742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).