3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol

C15H18F4O2 — CID 107287579

IUPAC3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(c2ccc(C(F)(F)F)c(F)c2)C(C)(C)O1
InChIInChI=1S/C15H18F4O2/c1-12(2)8-14(20,13(3,4)21-12)9-5-6-10(11(16)7-9)15(17,18)19/h5-7,20H,8H2,1-4H3
InChIKeySRDQLOQOXXPFOT-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.01
Rot. Bonds1

About 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol

3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 107287579) has the molecular formula C15H18F4O2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID107287579
Molecular FormulaC15H18F4O2
Molecular Weight306.30 g/mol
Exact Mass306.12
IUPAC Name3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(c2ccc(C(F)(F)F)c(F)c2)C(C)(C)O1
InChIInChI=1S/C15H18F4O2/c1-12(2)8-14(20,13(3,4)21-12)9-5-6-10(11(16)7-9)15(17,18)19/h5-7,20H,8H2,1-4H3
InChIKeySRDQLOQOXXPFOT-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 107287579) is 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol is CC1(C)CC(O)(c2ccc(C(F)(F)F)c(F)c2)C(C)(C)O1.
What is the InChIKey of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is SRDQLOQOXXPFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4O2/c1-12(2)8-14(20,13(3,4)21-12)9-5-6-10(11(16)7-9)15(17,18)19/h5-7,20H,8H2,1-4H3.
What are the key properties of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol?
3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 306.30 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 107287579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).