5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol

C14H10F4O2 — CID 117221704

IUPAC5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol
SMILESOc1cc(COc2ccccc2F)ccc1C(F)(F)F
InChIInChI=1S/C14H10F4O2/c15-11-3-1-2-4-13(11)20-8-9-5-6-10(12(19)7-9)14(16,17)18/h1-7,19H,8H2
InChIKeyWBBNYJLIHJTGFJ-UHFFFAOYSA-N
MW286.22 g/mol
LogP4.13
Rot. Bonds3

About 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol

5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol (PubChem CID 117221704) has the molecular formula C14H10F4O2 and a molecular weight of 286.22 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol
PubChem CID117221704
Molecular FormulaC14H10F4O2
Molecular Weight286.22 g/mol
Exact Mass286.06
IUPAC Name5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol
SMILESOc1cc(COc2ccccc2F)ccc1C(F)(F)F
InChIInChI=1S/C14H10F4O2/c15-11-3-1-2-4-13(11)20-8-9-5-6-10(12(19)7-9)14(16,17)18/h1-7,19H,8H2
InChIKeyWBBNYJLIHJTGFJ-UHFFFAOYSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid
CID 117221712
4-[(2-fluorophenoxy)methyl]-2-methoxyphenol
CID 117220257
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid
CID 117220275
2-[(3-amino-4-fluorophenyl)methoxy]phenol
CID 105492351
4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol
CID 130456710
3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219491
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 103749344
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
4-[2-(2-fluorophenoxy)ethyl]phenol
CID 154643282

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol (CID 117221704) is 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol is Oc1cc(COc2ccccc2F)ccc1C(F)(F)F.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol?
The InChIKey is WBBNYJLIHJTGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O2/c15-11-3-1-2-4-13(11)20-8-9-5-6-10(12(19)7-9)14(16,17)18/h1-7,19H,8H2.
What are the key properties of 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol?
5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol has a molecular weight of 286.22 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 117221704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).