(2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol

C12H11F3O2 — CID 10800306

IUPAC(2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol
SMILESC[C@@H]1C=C[C@@](O)(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C12H11F3O2/c1-8-6-7-11(16,17-8)9-2-4-10(5-3-9)12(13,14)15/h2-8,16H,1H3/t8-,11+/m1/s1
InChIKeyGPIFVFKNMGMZNA-KCJUWKMLSA-N
MW244.21 g/mol
LogP2.83
Rot. Bonds1

About (2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol

(2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol (PubChem CID 10800306) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is (2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol.

Molecular Properties

Compound Name(2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol
PubChem CID10800306
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name(2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol
SMILESC[C@@H]1C=C[C@@](O)(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C12H11F3O2/c1-8-6-7-11(16,17-8)9-2-4-10(5-3-9)12(13,14)15/h2-8,16H,1H3/t8-,11+/m1/s1
InChIKeyGPIFVFKNMGMZNA-KCJUWKMLSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol?
The IUPAC name of (2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol (CID 10800306) is (2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol.
What is the SMILES notation for (2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol?
The canonical SMILES for (2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol is C[C@@H]1C=C[C@@](O)(c2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of (2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol?
The InChIKey is GPIFVFKNMGMZNA-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H11F3O2/c1-8-6-7-11(16,17-8)9-2-4-10(5-3-9)12(13,14)15/h2-8,16H,1H3/t8-,11+/m1/s1.
What are the key properties of (2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol?
(2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol has a molecular weight of 244.21 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-methyl-5-[4-(trifluoromethyl)phenyl]-2H-furan-5-ol is sourced from PubChem (CID 10800306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).