[4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone

C19H17F3O6 — CID 70498048

IUPAC[4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cccc(O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O)c1
InChIInChI=1S/C19H17F3O6/c20-19(21,22)12-6-4-10(5-7-12)15(24)11-2-1-3-13(8-11)28-17-16(25)14(23)9-27-18(17)26/h1-8,14,16-18,23,25-26H,9H2/t14-,16+,17-,18-/m1/s1
InChIKeyUJICKTMNUVADMC-BZZMCLGOSA-N
MW398.33 g/mol
LogP1.75
Rot. Bonds4

About [4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone

[4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone (PubChem CID 70498048) has the molecular formula C19H17F3O6 and a molecular weight of 398.33 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone
PubChem CID70498048
Molecular FormulaC19H17F3O6
Molecular Weight398.33 g/mol
Exact Mass398.10
IUPAC Name[4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cccc(O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O)c1
InChIInChI=1S/C19H17F3O6/c20-19(21,22)12-6-4-10(5-7-12)15(24)11-2-1-3-13(8-11)28-17-16(25)14(23)9-27-18(17)26/h1-8,14,16-18,23,25-26H,9H2/t14-,16+,17-,18-/m1/s1
InChIKeyUJICKTMNUVADMC-BZZMCLGOSA-N
XLogP1.75
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone 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

CID 45490027
CID 45490027
CID 46838079
CID 46838079
CID 46838218
CID 46838218
CID 46838222
CID 46838222
CID 49856164
CID 49856164
CID 49856544
CID 49856544
CID 57413590
CID 57413590
CID 57413726
CID 57413726
CID 57413729
CID 57413729
CID 162668256
CID 162668256
CID 46837659
CID 46837659
CID 49856163
CID 49856163

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone?
The IUPAC name of [4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone (CID 70498048) is [4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone?
The canonical SMILES for [4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1cccc(O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O)c1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone?
The InChIKey is UJICKTMNUVADMC-BZZMCLGOSA-N. The full InChI is InChI=1S/C19H17F3O6/c20-19(21,22)12-6-4-10(5-7-12)15(24)11-2-1-3-13(8-11)28-17-16(25)14(23)9-27-18(17)26/h1-8,14,16-18,23,25-26H,9H2/t14-,16+,17-,18-/m1/s1.
What are the key properties of [4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone?
[4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone has a molecular weight of 398.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]-[3-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyphenyl]methanone is sourced from PubChem (CID 70498048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).