2-(trifluoromethoxy)phenol

C7H5F3O2 — CID 2777299

IUPAC2-(trifluoromethoxy)phenol
SMILESOc1ccccc1OC(F)(F)F
InChIInChI=1S/C7H5F3O2/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4,11H
InChIKeyGQWMNVOVQZIPJC-UHFFFAOYSA-N
MW178.11 g/mol
LogP2.29
Rot. Bonds1

About 2-(trifluoromethoxy)phenol

2-(trifluoromethoxy)phenol (PubChem CID 2777299) has the molecular formula C7H5F3O2 and a molecular weight of 178.11 g/mol. Its IUPAC name is 2-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-(trifluoromethoxy)phenol
PubChem CID2777299
Molecular FormulaC7H5F3O2
Molecular Weight178.11 g/mol
Exact Mass178.02
IUPAC Name2-(trifluoromethoxy)phenol
SMILESOc1ccccc1OC(F)(F)F
InChIInChI=1S/C7H5F3O2/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4,11H
InChIKeyGQWMNVOVQZIPJC-UHFFFAOYSA-N
XLogP2.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 460
CID 460
CID 66755
CID 66755
CID 13622
CID 13622
CID 20949
CID 20949
CID 160458
CID 160458
CID 67764
CID 67764
CID 75491
CID 75491
CID 565162
CID 565162
CID 78514
CID 78514
CID 89231
CID 89231
CID 70015
CID 70015
CID 80476
CID 80476

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)phenol?
The IUPAC name of 2-(trifluoromethoxy)phenol (CID 2777299) is 2-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-(trifluoromethoxy)phenol?
The canonical SMILES for 2-(trifluoromethoxy)phenol is Oc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)phenol?
The InChIKey is GQWMNVOVQZIPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4,11H.
What are the key properties of 2-(trifluoromethoxy)phenol?
2-(trifluoromethoxy)phenol has a molecular weight of 178.11 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)phenol is sourced from PubChem (CID 2777299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).