1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

C12H12F6O — CID 103310547

IUPAC1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESCc1ccc(C)c(C(O)C(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C12H12F6O/c1-6-3-4-7(2)8(5-6)9(19)10(11(13,14)15)12(16,17)18/h3-5,9-10,19H,1-2H3
InChIKeyGVDHJNCEPFCCEX-UHFFFAOYSA-N
MW286.22 g/mol
LogP4.08
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (PubChem CID 103310547) has the molecular formula C12H12F6O and a molecular weight of 286.22 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
PubChem CID103310547
Molecular FormulaC12H12F6O
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESCc1ccc(C)c(C(O)C(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C12H12F6O/c1-6-3-4-7(2)8(5-6)9(19)10(11(13,14)15)12(16,17)18/h3-5,9-10,19H,1-2H3
InChIKeyGVDHJNCEPFCCEX-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 20684551
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1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
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dimethylamino-(2,5-dimethylphenyl)methanol
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1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
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1-(2,5-dimethylphenyl)butane-1,2,4-triol
CID 171871856
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol
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2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene
CID 130605234
1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol
CID 116711234
ethyl 3-(2,5-dimethylphenyl)-2,2-difluoro-3-hydroxypropanoate
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CID 65148482

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (CID 103310547) is 1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is Cc1ccc(C)c(C(O)C(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The InChIKey is GVDHJNCEPFCCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6O/c1-6-3-4-7(2)8(5-6)9(19)10(11(13,14)15)12(16,17)18/h3-5,9-10,19H,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol has a molecular weight of 286.22 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 103310547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).