2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol

C11H13F3O — CID 117310696

IUPAC2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(CC(F)(F)F)c1
InChIInChI=1S/C11H13F3O/c1-10(2,15)9-5-3-4-8(6-9)7-11(12,13)14/h3-6,15H,7H2,1-2H3
InChIKeyYFJQSRQMUODBFX-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.02
Rot. Bonds2

About 2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol

2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol (PubChem CID 117310696) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol
PubChem CID117310696
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(CC(F)(F)F)c1
InChIInChI=1S/C11H13F3O/c1-10(2,15)9-5-3-4-8(6-9)7-11(12,13)14/h3-6,15H,7H2,1-2H3
InChIKeyYFJQSRQMUODBFX-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(fluoromethyl)phenyl]propan-2-ol
CID 12844398
3-methyl-3-[3-(2,2,2-trifluoroethyl)phenyl]butanoic acid
CID 117404449
2,2-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]propanoic acid
CID 117404459
1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23570047
2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145339
2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
CID 65146705
3-(2,2,2-trifluoroethyl)aniline
CID 54595012
2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol
CID 23561492
2-[3-[(2R)-2,4-dimethyl-3-propan-2-ylpentyl]phenyl]propan-2-ol
CID 59038714
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65146789
3-(2,2,2-trifluoroethyl)benzoic acid
CID 14087914

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol (CID 117310696) is 2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol is CC(C)(O)c1cccc(CC(F)(F)F)c1.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol?
The InChIKey is YFJQSRQMUODBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-10(2,15)9-5-3-4-8(6-9)7-11(12,13)14/h3-6,15H,7H2,1-2H3.
What are the key properties of 2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol?
2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol has a molecular weight of 218.22 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117310696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).