(1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol

C12H13F3O — CID 104939856

IUPAC(1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol
SMILESO[C@H](c1ccccc1C1CCC1)C(F)(F)F
InChIInChI=1S/C12H13F3O/c13-12(14,15)11(16)10-7-2-1-6-9(10)8-4-3-5-8/h1-2,6-8,11,16H,3-5H2/t11-/m1/s1
InChIKeyLDTFPQZQGSXULM-LLVKDONJSA-N
MW230.23 g/mol
LogP3.55
Rot. Bonds2

About (1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol

(1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol (PubChem CID 104939856) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is (1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol
PubChem CID104939856
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name(1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol
SMILESO[C@H](c1ccccc1C1CCC1)C(F)(F)F
InChIInChI=1S/C12H13F3O/c13-12(14,15)11(16)10-7-2-1-6-9(10)8-4-3-5-8/h1-2,6-8,11,16H,3-5H2/t11-/m1/s1
InChIKeyLDTFPQZQGSXULM-LLVKDONJSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(cyclobutylamino)phenyl]-2,2,2-trifluoroethanol
CID 154337986
1-(2-cyclobutylphenyl)butane-1,2-diol
CID 103454593
(1R)-1-[2-(2-cyclobutylphenyl)phenyl]ethanol
CID 71129039
2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
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2-amino-1-(2-cyclohexylphenyl)ethanol
CID 83837309
(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
CID 66680296
(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde
CID 173057877
1-(2-cyclobutylphenyl)-2-phenylpropan-1-ol
CID 114601326
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol
CID 114602257
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
1-(2-cyclobutylphenyl)-3-phenylpropan-1-ol
CID 114601312
1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol
CID 114602446

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol?
The IUPAC name of (1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol (CID 104939856) is (1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol is O[C@H](c1ccccc1C1CCC1)C(F)(F)F.
What is the InChIKey of (1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol?
The InChIKey is LDTFPQZQGSXULM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13F3O/c13-12(14,15)11(16)10-7-2-1-6-9(10)8-4-3-5-8/h1-2,6-8,11,16H,3-5H2/t11-/m1/s1.
What are the key properties of (1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol?
(1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol has a molecular weight of 230.23 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 104939856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).