(1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol

C12H13F3O — CID 104939857

IUPAC(1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol
SMILESO[C@H](c1cccc(C2CCC2)c1)C(F)(F)F
InChIInChI=1S/C12H13F3O/c13-12(14,15)11(16)10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8,11,16H,1,3-4H2/t11-/m1/s1
InChIKeyPJVILCWXOBYFNE-LLVKDONJSA-N
MW230.23 g/mol
LogP3.55
Rot. Bonds2

About (1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol

(1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol (PubChem CID 104939857) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is (1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol
PubChem CID104939857
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name(1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol
SMILESO[C@H](c1cccc(C2CCC2)c1)C(F)(F)F
InChIInChI=1S/C12H13F3O/c13-12(14,15)11(16)10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8,11,16H,1,3-4H2/t11-/m1/s1
InChIKeyPJVILCWXOBYFNE-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-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312671
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
1-(3-cyclobutylphenyl)-2-cyclopropylethane-1,2-diol
CID 103456751
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474035
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
3-amino-1-(3-cyclobutylphenyl)propan-1-ol
CID 114601621
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
(3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol
CID 114602324
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
3-[(3-cyclobutylphenyl)-hydroxymethyl]benzonitrile
CID 114601548

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol?
The IUPAC name of (1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol (CID 104939857) is (1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol is O[C@H](c1cccc(C2CCC2)c1)C(F)(F)F.
What is the InChIKey of (1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol?
The InChIKey is PJVILCWXOBYFNE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13F3O/c13-12(14,15)11(16)10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8,11,16H,1,3-4H2/t11-/m1/s1.
What are the key properties of (1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol?
(1R)-1-(3-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-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 104939857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).