(1S)-1-[2-(trifluoromethoxy)phenyl]ethanol

C9H9F3O2 — CID 26597265

IUPAC(1S)-1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-6,13H,1H3/t6-/m0/s1
InChIKeyLWOXLMRGAQEYMM-LURJTMIESA-N
MW206.16 g/mol
LogP2.64
Rot. Bonds2

About (1S)-1-[2-(trifluoromethoxy)phenyl]ethanol

(1S)-1-[2-(trifluoromethoxy)phenyl]ethanol (PubChem CID 26597265) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is (1S)-1-[2-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(trifluoromethoxy)phenyl]ethanol
PubChem CID26597265
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name(1S)-1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-6,13H,1H3/t6-/m0/s1
InChIKeyLWOXLMRGAQEYMM-LURJTMIESA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(trifluoromethoxy)phenyl]ethanol (CID 26597265) is (1S)-1-[2-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(trifluoromethoxy)phenyl]ethanol is C[C@H](O)c1ccccc1OC(F)(F)F.
What is the InChIKey of (1S)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is LWOXLMRGAQEYMM-LURJTMIESA-N. The full InChI is InChI=1S/C9H9F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-6,13H,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-[2-(trifluoromethoxy)phenyl]ethanol?
(1S)-1-[2-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 206.16 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 26597265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).