3-fluoro-4-[(2-fluorophenoxy)methyl]phenol

C13H10F2O2 — CID 117219499

IUPAC3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
SMILESOc1ccc(COc2ccccc2F)c(F)c1
InChIInChI=1S/C13H10F2O2/c14-11-3-1-2-4-13(11)17-8-9-5-6-10(16)7-12(9)15/h1-7,16H,8H2
InChIKeyVFWUKIOUSQBZKY-UHFFFAOYSA-N
MW236.22 g/mol
LogP3.25
Rot. Bonds3

About 3-fluoro-4-[(2-fluorophenoxy)methyl]phenol

3-fluoro-4-[(2-fluorophenoxy)methyl]phenol (PubChem CID 117219499) has the molecular formula C13H10F2O2 and a molecular weight of 236.22 g/mol. Its IUPAC name is 3-fluoro-4-[(2-fluorophenoxy)methyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
PubChem CID117219499
Molecular FormulaC13H10F2O2
Molecular Weight236.22 g/mol
Exact Mass236.06
IUPAC Name3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
SMILESOc1ccc(COc2ccccc2F)c(F)c1
InChIInChI=1S/C13H10F2O2/c14-11-3-1-2-4-13(11)17-8-9-5-6-10(16)7-12(9)15/h1-7,16H,8H2
InChIKeyVFWUKIOUSQBZKY-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
CID 117219510
3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219491
methyl 3-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 71089392
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
3-[3-fluoro-4-[(2-fluorophenoxy)methyl]phenyl]prop-2-enoic acid
CID 76908431
2-[(2-fluoro-4-methoxyphenyl)methoxy]phenol
CID 102877217
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
4-(aminooxymethyl)-3-fluorophenol
CID 117276067
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
4-(chloromethyl)-3-fluorophenol
CID 54246792
3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide
CID 43326327
2-[(2-fluorophenoxy)methyl]-1H-indol-6-ol
CID 117180148

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-fluorophenoxy)methyl]phenol?
The IUPAC name of 3-fluoro-4-[(2-fluorophenoxy)methyl]phenol (CID 117219499) is 3-fluoro-4-[(2-fluorophenoxy)methyl]phenol.
What is the SMILES notation for 3-fluoro-4-[(2-fluorophenoxy)methyl]phenol?
The canonical SMILES for 3-fluoro-4-[(2-fluorophenoxy)methyl]phenol is Oc1ccc(COc2ccccc2F)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(2-fluorophenoxy)methyl]phenol?
The InChIKey is VFWUKIOUSQBZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O2/c14-11-3-1-2-4-13(11)17-8-9-5-6-10(16)7-12(9)15/h1-7,16H,8H2.
What are the key properties of 3-fluoro-4-[(2-fluorophenoxy)methyl]phenol?
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol has a molecular weight of 236.22 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-fluorophenoxy)methyl]phenol is sourced from PubChem (CID 117219499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).