5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol

C13H8F4O2 — CID 79018315

IUPAC5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
SMILESOc1cc(F)ccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H8F4O2/c14-9-4-5-11(12(18)7-9)8-2-1-3-10(6-8)19-13(15,16)17/h1-7,18H
InChIKeyYKZHOCCFVLDJSU-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.10
Rot. Bonds2

About 5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol

5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol (PubChem CID 79018315) has the molecular formula C13H8F4O2 and a molecular weight of 272.20 g/mol. Its IUPAC name is 5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
PubChem CID79018315
Molecular FormulaC13H8F4O2
Molecular Weight272.20 g/mol
Exact Mass272.05
IUPAC Name5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
SMILESOc1cc(F)ccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H8F4O2/c14-9-4-5-11(12(18)7-9)8-2-1-3-10(6-8)19-13(15,16)17/h1-7,18H
InChIKeyYKZHOCCFVLDJSU-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

4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118799410
4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 134628195
2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118842889
5-fluoro-2-(3-propan-2-yloxyphenyl)phenol
CID 83130979
4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde
CID 103694064
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid
CID 171115617
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134620203

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol?
The IUPAC name of 5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol (CID 79018315) is 5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol.
What is the SMILES notation for 5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol?
The canonical SMILES for 5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol is Oc1cc(F)ccc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol?
The InChIKey is YKZHOCCFVLDJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4O2/c14-9-4-5-11(12(18)7-9)8-2-1-3-10(6-8)19-13(15,16)17/h1-7,18H.
What are the key properties of 5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol?
5-fluoro-2-[3-(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 5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol is sourced from PubChem (CID 79018315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).