4-fluoro-2-(trifluoromethyl)phenol

C7H4F4O — CID 518675

IUPAC4-fluoro-2-(trifluoromethyl)phenol
SMILESOc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C7H4F4O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
InChIKeyRNOVGJWJVRESAA-UHFFFAOYSA-N
MW180.10 g/mol
LogP2.55
Rot. Bonds

About 4-fluoro-2-(trifluoromethyl)phenol

4-fluoro-2-(trifluoromethyl)phenol (PubChem CID 518675) has the molecular formula C7H4F4O and a molecular weight of 180.10 g/mol. Its IUPAC name is 4-fluoro-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(trifluoromethyl)phenol
PubChem CID518675
Molecular FormulaC7H4F4O
Molecular Weight180.10 g/mol
Exact Mass180.02
IUPAC Name4-fluoro-2-(trifluoromethyl)phenol
SMILESOc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C7H4F4O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
InChIKeyRNOVGJWJVRESAA-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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Related Compounds

P-Cresol
CID 2879
O-Cresol
CID 335
Salicyl Alcohol
CID 5146
2-Ethylphenol
CID 6997
2,6-Dimethylphenol
CID 11335
Nonylphenol
CID 67296
2-Isopropylphenol
CID 6943
2-Propylphenol
CID 12570
4-Vinylphenol
CID 62453
2-sec-Butylphenol
CID 6984
2-Allylphenol
CID 15624
n-Octylphenol
CID 13700

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(trifluoromethyl)phenol?
The IUPAC name of 4-fluoro-2-(trifluoromethyl)phenol (CID 518675) is 4-fluoro-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-fluoro-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-fluoro-2-(trifluoromethyl)phenol is Oc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 4-fluoro-2-(trifluoromethyl)phenol?
The InChIKey is RNOVGJWJVRESAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H.
What are the key properties of 4-fluoro-2-(trifluoromethyl)phenol?
4-fluoro-2-(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 4-fluoro-2-(trifluoromethyl)phenol is sourced from PubChem (CID 518675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).