(2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol

C14H16F4O4 — CID 175539899

IUPAC(2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
SMILESCOc1c(C2C(C)C(C)(C(F)(F)F)O[C@H]2O)ccc(O)c1F
InChIInChI=1S/C14H16F4O4/c1-6-9(12(20)22-13(6,2)14(16,17)18)7-4-5-8(19)10(15)11(7)21-3/h4-6,9,12,19-20H,1-3H3/t6?,9?,12-,13?/m1/s1
InChIKeyJJUZZLBWDLUFPJ-HPZVDCCTSA-N
MW324.27 g/mol
LogP2.93
Rot. Bonds2

About (2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol

(2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol (PubChem CID 175539899) has the molecular formula C14H16F4O4 and a molecular weight of 324.27 g/mol. Its IUPAC name is (2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name(2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
PubChem CID175539899
Molecular FormulaC14H16F4O4
Molecular Weight324.27 g/mol
Exact Mass324.10
IUPAC Name(2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
SMILESCOc1c(C2C(C)C(C)(C(F)(F)F)O[C@H]2O)ccc(O)c1F
InChIInChI=1S/C14H16F4O4/c1-6-9(12(20)22-13(6,2)14(16,17)18)7-4-5-8(19)10(15)11(7)21-3/h4-6,9,12,19-20H,1-3H3/t6?,9?,12-,13?/m1/s1
InChIKeyJJUZZLBWDLUFPJ-HPZVDCCTSA-N
XLogP2.93
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
The IUPAC name of (2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol (CID 175539899) is (2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol.
What is the SMILES notation for (2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
The canonical SMILES for (2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol is COc1c(C2C(C)C(C)(C(F)(F)F)O[C@H]2O)ccc(O)c1F.
What is the InChIKey of (2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
The InChIKey is JJUZZLBWDLUFPJ-HPZVDCCTSA-N. The full InChI is InChI=1S/C14H16F4O4/c1-6-9(12(20)22-13(6,2)14(16,17)18)7-4-5-8(19)10(15)11(7)21-3/h4-6,9,12,19-20H,1-3H3/t6?,9?,12-,13?/m1/s1.
What are the key properties of (2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
(2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol has a molecular weight of 324.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-fluoro-4-hydroxy-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol is sourced from PubChem (CID 175539899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).