2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol

C11H12F4O2 — CID 107287106

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol
SMILESCOCC(C)(O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H12F4O2/c1-10(16,6-17-2)7-3-4-9(12)8(5-7)11(13,14)15/h3-5,16H,6H2,1-2H3
InChIKeyDOXCCABDUCTWEF-UHFFFAOYSA-N
MW252.21 g/mol
LogP2.70
Rot. Bonds3

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol

2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol (PubChem CID 107287106) has the molecular formula C11H12F4O2 and a molecular weight of 252.21 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol
PubChem CID107287106
Molecular FormulaC11H12F4O2
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol
SMILESCOCC(C)(O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H12F4O2/c1-10(16,6-17-2)7-3-4-9(12)8(5-7)11(13,14)15/h3-5,16H,6H2,1-2H3
InChIKeyDOXCCABDUCTWEF-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol
CID 69933
alpha-Ethyl-alpha-phenyl-3-(trifluoromethyl)benzenemethanol
CID 41870
alpha,alpha-Bis(trifluoromethyl)benzyl alcohol
CID 69748
(+-)-2-Phenyl-1,2-propanediol
CID 97867
2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-
CID 36952
1-(3,5-Bis(trifluoromethyl)phenyl)ethanol
CID 6425739
1,1,1,4,4,4-Hexafluoro-2,3-diphenylbutane-2,3-diol
CID 320082
4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
CID 36944
1-(3-(Trifluoromethyl)phenyl)ethanol
CID 136296
1,4-Bis(2-hydroxyhexafluoroisopropyl)benzene
CID 631065
(alphaR)-alpha-Methyl-3,5-bis(trifluoromethyl)benzenemethanol
CID 2779031
(1S)-1-(3-(trifluoromethyl)phenyl)ethan-1-ol
CID 7004853

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol (CID 107287106) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol is COCC(C)(O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol?
The InChIKey is DOXCCABDUCTWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O2/c1-10(16,6-17-2)7-3-4-9(12)8(5-7)11(13,14)15/h3-5,16H,6H2,1-2H3.
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol?
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol has a molecular weight of 252.21 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol is sourced from PubChem (CID 107287106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).