2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol

C9H9F3O2 — CID 2829249

IUPAC2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)C(F)(F)F)c1
InChIInChI=1S/C9H9F3O2/c1-14-7-4-2-3-6(5-7)8(13)9(10,11)12/h2-5,8,13H,1H3
InChIKeyRQAXPSRNKBTNOB-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.29
Rot. Bonds2

About 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol

2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol (PubChem CID 2829249) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol
PubChem CID2829249
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)C(F)(F)F)c1
InChIInChI=1S/C9H9F3O2/c1-14-7-4-2-3-6(5-7)8(13)9(10,11)12/h2-5,8,13H,1H3
InChIKeyRQAXPSRNKBTNOB-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol (CID 2829249) is 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol?
The InChIKey is RQAXPSRNKBTNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-14-7-4-2-3-6(5-7)8(13)9(10,11)12/h2-5,8,13H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol?
2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol has a molecular weight of 206.16 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 2829249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).