2-fluoro-3-(trifluoromethyl)benzene-1,4-diol

C7H4F4O2 — CID 143639383

IUPAC2-fluoro-3-(trifluoromethyl)benzene-1,4-diol
SMILESOc1ccc(O)c(C(F)(F)F)c1F
InChIInChI=1S/C7H4F4O2/c8-6-4(13)2-1-3(12)5(6)7(9,10)11/h1-2,12-13H
InChIKeyHFOWGWXRJFZXGM-UHFFFAOYSA-N
MW196.10 g/mol
LogP2.26
Rot. Bonds

About 2-fluoro-3-(trifluoromethyl)benzene-1,4-diol

2-fluoro-3-(trifluoromethyl)benzene-1,4-diol (PubChem CID 143639383) has the molecular formula C7H4F4O2 and a molecular weight of 196.10 g/mol. Its IUPAC name is 2-fluoro-3-(trifluoromethyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-fluoro-3-(trifluoromethyl)benzene-1,4-diol
PubChem CID143639383
Molecular FormulaC7H4F4O2
Molecular Weight196.10 g/mol
Exact Mass196.01
IUPAC Name2-fluoro-3-(trifluoromethyl)benzene-1,4-diol
SMILESOc1ccc(O)c(C(F)(F)F)c1F
InChIInChI=1S/C7H4F4O2/c8-6-4(13)2-1-3(12)5(6)7(9,10)11/h1-2,12-13H
InChIKeyHFOWGWXRJFZXGM-UHFFFAOYSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 130881753
4-fluoro-3-methyl-2-(trifluoromethyl)phenol
CID 171020836
4-methylsulfanyl-2,3-bis(trifluoromethyl)phenol
CID 119008895
2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol
CID 117280993
4-methoxy-2,3-bis(trifluoromethyl)phenol
CID 22595244
4-amino-3-chloro-2-(trifluoromethyl)phenol
CID 119003890
4-hydroxy-2,3-bis(trifluoromethyl)benzamide
CID 118854529
ethane;3-methyl-2-(trifluoromethyl)phenol
CID 171645193
4-fluoro-2,3,5-tris(trifluoromethyl)phenol
CID 177310984
3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol
CID 84777631
2,3-difluoro-4-(trifluoromethylamino)phenol
CID 18457376
7-amino-1-(trifluoromethyl)naphthalen-2-ol
CID 141473254

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(trifluoromethyl)benzene-1,4-diol?
The IUPAC name of 2-fluoro-3-(trifluoromethyl)benzene-1,4-diol (CID 143639383) is 2-fluoro-3-(trifluoromethyl)benzene-1,4-diol.
What is the SMILES notation for 2-fluoro-3-(trifluoromethyl)benzene-1,4-diol?
The canonical SMILES for 2-fluoro-3-(trifluoromethyl)benzene-1,4-diol is Oc1ccc(O)c(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-3-(trifluoromethyl)benzene-1,4-diol?
The InChIKey is HFOWGWXRJFZXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4O2/c8-6-4(13)2-1-3(12)5(6)7(9,10)11/h1-2,12-13H.
What are the key properties of 2-fluoro-3-(trifluoromethyl)benzene-1,4-diol?
2-fluoro-3-(trifluoromethyl)benzene-1,4-diol has a molecular weight of 196.10 g/mol, XLogP of 2.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(trifluoromethyl)benzene-1,4-diol is sourced from PubChem (CID 143639383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).