2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol

C16H21F3O2 — CID 115782694

IUPAC2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2cccc(C(F)(F)F)c2)C1C
InChIInChI=1S/C16H21F3O2/c1-9-10(2)21-11(3)15(9)14(20)8-12-5-4-6-13(7-12)16(17,18)19/h4-7,9-11,14-15,20H,8H2,1-3H3
InChIKeyQUGJXFYKLTZMHB-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.67
Rot. Bonds3

About 2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol

2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol (PubChem CID 115782694) has the molecular formula C16H21F3O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol
PubChem CID115782694
Molecular FormulaC16H21F3O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2cccc(C(F)(F)F)c2)C1C
InChIInChI=1S/C16H21F3O2/c1-9-10(2)21-11(3)15(9)14(20)8-12-5-4-6-13(7-12)16(17,18)19/h4-7,9-11,14-15,20H,8H2,1-3H3
InChIKeyQUGJXFYKLTZMHB-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
1-[3-(trifluoromethyl)phenyl]octan-2-ol
CID 65149077
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
1-(5-ethylfuran-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 65149824
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane
CID 65159640

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol (CID 115782694) is 2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol is CC1OC(C)C(C(O)Cc2cccc(C(F)(F)F)c2)C1C.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The InChIKey is QUGJXFYKLTZMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O2/c1-9-10(2)21-11(3)15(9)14(20)8-12-5-4-6-13(7-12)16(17,18)19/h4-7,9-11,14-15,20H,8H2,1-3H3.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol has a molecular weight of 302.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol is sourced from PubChem (CID 115782694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).