4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol

C13H8F4O2 — CID 90022757

IUPAC4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol
SMILESOc1ccc(-c2ccc(OC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C13H8F4O2/c14-11-7-9(8-1-4-10(18)5-2-8)3-6-12(11)19-13(15,16)17/h1-7,18H
InChIKeyMFKXRHVVIKBOGI-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.10
Rot. Bonds2

About 4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol

4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol (PubChem CID 90022757) has the molecular formula C13H8F4O2 and a molecular weight of 272.20 g/mol. Its IUPAC name is 4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol.

Molecular Properties

Compound Name4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol
PubChem CID90022757
Molecular FormulaC13H8F4O2
Molecular Weight272.20 g/mol
Exact Mass272.05
IUPAC Name4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol
SMILESOc1ccc(-c2ccc(OC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C13H8F4O2/c14-11-7-9(8-1-4-10(18)5-2-8)3-6-12(11)19-13(15,16)17/h1-7,18H
InChIKeyMFKXRHVVIKBOGI-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-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
2-fluoro-4-[4-[9-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenoxy]nonoxy]phenyl]-1-(trifluoromethoxy)benzene
CID 118245658
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
2-fluoro-4-[4-(4-hexylphenyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436396
2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene
CID 118474676
4-[4-[9-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenoxy]nonoxy]phenyl]benzonitrile
CID 118245666
2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene
CID 58738425
2-fluoro-4-[4-[8-[4-(4-isocyanophenyl)phenoxy]octoxy]phenyl]-1-(trifluoromethoxy)benzene
CID 59583309
4-[4-[amino-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenoxy]methoxy]phenyl]benzonitrile
CID 139516373
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
2-chloro-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 71226998
4-[4-[4-(2-chloroethenyl)cyclohexyl]phenyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 54283723

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol?
The IUPAC name of 4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol (CID 90022757) is 4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol.
What is the SMILES notation for 4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol?
The canonical SMILES for 4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol is Oc1ccc(-c2ccc(OC(F)(F)F)c(F)c2)cc1.
What is the InChIKey of 4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol?
The InChIKey is MFKXRHVVIKBOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4O2/c14-11-7-9(8-1-4-10(18)5-2-8)3-6-12(11)19-13(15,16)17/h1-7,18H.
What are the key properties of 4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol?
4-[3-fluoro-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-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol is sourced from PubChem (CID 90022757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).