3-fluoro-5-(trifluoromethyl)phenol

C7H4F4O — CID 2737587

IUPAC3-fluoro-5-(trifluoromethyl)phenol
SMILESOc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C7H4F4O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H
InChIKeyVNTKPYNBATZMSV-UHFFFAOYSA-N
MW180.10 g/mol
LogP2.55
Rot. Bonds

About 3-fluoro-5-(trifluoromethyl)phenol

3-fluoro-5-(trifluoromethyl)phenol (PubChem CID 2737587) has the molecular formula C7H4F4O and a molecular weight of 180.10 g/mol. Its IUPAC name is 3-fluoro-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-fluoro-5-(trifluoromethyl)phenol
PubChem CID2737587
Molecular FormulaC7H4F4O
Molecular Weight180.10 g/mol
Exact Mass180.02
IUPAC Name3-fluoro-5-(trifluoromethyl)phenol
SMILESOc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C7H4F4O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H
InChIKeyVNTKPYNBATZMSV-UHFFFAOYSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(trifluoromethyl)phenol?
The IUPAC name of 3-fluoro-5-(trifluoromethyl)phenol (CID 2737587) is 3-fluoro-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-fluoro-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-fluoro-5-(trifluoromethyl)phenol is Oc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-5-(trifluoromethyl)phenol?
The InChIKey is VNTKPYNBATZMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H.
What are the key properties of 3-fluoro-5-(trifluoromethyl)phenol?
3-fluoro-5-(trifluoromethyl)phenol has a molecular weight of 180.10 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(trifluoromethyl)phenol is sourced from PubChem (CID 2737587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).