3-(trifluoromethyl)phenol

C7H5F3O — CID 7376

IUPAC3-(trifluoromethyl)phenol
SMILESOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
InChIKeyUGEJOEBBMPOJMT-UHFFFAOYSA-N
MW162.11 g/mol
LogP2.41
Rot. Bonds

About 3-(trifluoromethyl)phenol

3-(trifluoromethyl)phenol (PubChem CID 7376) has the molecular formula C7H5F3O and a molecular weight of 162.11 g/mol. Its IUPAC name is 3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-(trifluoromethyl)phenol
PubChem CID7376
Molecular FormulaC7H5F3O
Molecular Weight162.11 g/mol
Exact Mass162.03
IUPAC Name3-(trifluoromethyl)phenol
SMILESOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
InChIKeyUGEJOEBBMPOJMT-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.11
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)phenol?
The IUPAC name of 3-(trifluoromethyl)phenol (CID 7376) is 3-(trifluoromethyl)phenol.
What is the SMILES notation for 3-(trifluoromethyl)phenol?
The canonical SMILES for 3-(trifluoromethyl)phenol is Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)phenol?
The InChIKey is UGEJOEBBMPOJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H.
What are the key properties of 3-(trifluoromethyl)phenol?
3-(trifluoromethyl)phenol has a molecular weight of 162.11 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)phenol is sourced from PubChem (CID 7376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).