4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol

C13H8F4O2 — CID 134630076

IUPAC4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
SMILESOc1ccc(F)cc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F4O2/c14-9-3-6-12(18)11(7-9)8-1-4-10(5-2-8)19-13(15,16)17/h1-7,18H
InChIKeyRGDMDLZEIGTPMT-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.10
Rot. Bonds2

About 4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol

4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol (PubChem CID 134630076) has the molecular formula C13H8F4O2 and a molecular weight of 272.20 g/mol. Its IUPAC name is 4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
PubChem CID134630076
Molecular FormulaC13H8F4O2
Molecular Weight272.20 g/mol
Exact Mass272.05
IUPAC Name4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
SMILESOc1ccc(F)cc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F4O2/c14-9-3-6-12(18)11(7-9)8-1-4-10(5-2-8)19-13(15,16)17/h1-7,18H
InChIKeyRGDMDLZEIGTPMT-UHFFFAOYSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 165416807
4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
CID 166640991
3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol
CID 145313600
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
CID 162558400
(E)-3-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 118822082
5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
2-(4-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 146015322
4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 112694313
4-fluoro-2-[[4-(trifluoromethoxy)anilino]methyl]phenol
CID 103947759

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol?
The IUPAC name of 4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol (CID 134630076) is 4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol.
What is the SMILES notation for 4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol?
The canonical SMILES for 4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol is Oc1ccc(F)cc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol?
The InChIKey is RGDMDLZEIGTPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4O2/c14-9-3-6-12(18)11(7-9)8-1-4-10(5-2-8)19-13(15,16)17/h1-7,18H.
What are the key properties of 4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol?
4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol has a molecular weight of 272.20 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol is sourced from PubChem (CID 134630076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).