2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol

C13H8F4O2 — CID 53219695

IUPAC2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
SMILESOc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1F
InChIInChI=1S/C13H8F4O2/c14-11-6-3-9(7-12(11)18)8-1-4-10(5-2-8)19-13(15,16)17/h1-7,18H
InChIKeyRGDWOWKMRIDBHJ-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.10
Rot. Bonds2

About 2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol

2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol (PubChem CID 53219695) has the molecular formula C13H8F4O2 and a molecular weight of 272.20 g/mol. Its IUPAC name is 2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol.

Molecular Properties

Compound Name2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
PubChem CID53219695
Molecular FormulaC13H8F4O2
Molecular Weight272.20 g/mol
Exact Mass272.05
IUPAC Name2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
SMILESOc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1F
InChIInChI=1S/C13H8F4O2/c14-11-6-3-9(7-12(11)18)8-1-4-10(5-2-8)19-13(15,16)17/h1-7,18H
InChIKeyRGDWOWKMRIDBHJ-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-amino-4-[4-(trifluoromethoxy)phenyl]phenol
CID 162558400
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
CID 134630076
2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807454
2-nitro-4-[4-(trifluoromethoxy)phenyl]phenol
CID 53221716
3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol
CID 53222067
N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide
CID 118180284
3-(4-fluoro-3-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221969
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol?
The IUPAC name of 2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol (CID 53219695) is 2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol.
What is the SMILES notation for 2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol?
The canonical SMILES for 2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol is Oc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1F.
What is the InChIKey of 2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol?
The InChIKey is RGDWOWKMRIDBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4O2/c14-11-6-3-9(7-12(11)18)8-1-4-10(5-2-8)19-13(15,16)17/h1-7,18H.
What are the key properties of 2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol?
2-fluoro-5-[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 2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol is sourced from PubChem (CID 53219695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).