(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol

C8H6ClF3O — CID 11275842

IUPAC(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
SMILESO[C@H](c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C8H6ClF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7,13H/t7-/m1/s1
InChIKeyDONAZKZEGGHKRH-SSDOTTSWSA-N
MW210.58 g/mol
LogP2.94
Rot. Bonds1

About (1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol

(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol (PubChem CID 11275842) has the molecular formula C8H6ClF3O and a molecular weight of 210.58 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
PubChem CID11275842
Molecular FormulaC8H6ClF3O
Molecular Weight210.58 g/mol
Exact Mass210.01
IUPAC Name(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
SMILESO[C@H](c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C8H6ClF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7,13H/t7-/m1/s1
InChIKeyDONAZKZEGGHKRH-SSDOTTSWSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.58
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol?
The IUPAC name of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol (CID 11275842) is (1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol is O[C@H](c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol?
The InChIKey is DONAZKZEGGHKRH-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H6ClF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7,13H/t7-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol?
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol has a molecular weight of 210.58 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 11275842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).