3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol

C14H10F4O2 — CID 117219491

IUPAC3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
SMILESOc1ccc(COc2ccccc2C(F)(F)F)c(F)c1
InChIInChI=1S/C14H10F4O2/c15-12-7-10(19)6-5-9(12)8-20-13-4-2-1-3-11(13)14(16,17)18/h1-7,19H,8H2
InChIKeyJTGVFTXVGOQDOZ-UHFFFAOYSA-N
MW286.22 g/mol
LogP4.13
Rot. Bonds3

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

3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol (PubChem CID 117219491) has the molecular formula C14H10F4O2 and a molecular weight of 286.22 g/mol. Its IUPAC name is 3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
PubChem CID117219491
Molecular FormulaC14H10F4O2
Molecular Weight286.22 g/mol
Exact Mass286.06
IUPAC Name3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
SMILESOc1ccc(COc2ccccc2C(F)(F)F)c(F)c1
InChIInChI=1S/C14H10F4O2/c15-12-7-10(19)6-5-9(12)8-20-13-4-2-1-3-11(13)14(16,17)18/h1-7,19H,8H2
InChIKeyJTGVFTXVGOQDOZ-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

3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
CID 117219510
3-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219492
5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221012
1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 86588170
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
4-[(2-tert-butylphenoxy)methyl]-3-fluoroaniline
CID 64769075
2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 106994341
2-[(2-fluoro-4-methoxyphenyl)methoxy]phenol
CID 102877217
5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol
CID 117221704
N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
CID 62449458
4-(aminooxymethyl)-3-fluorophenol
CID 117276067

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol?
The IUPAC name of 3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol (CID 117219491) is 3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol.
What is the SMILES notation for 3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol?
The canonical SMILES for 3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol is Oc1ccc(COc2ccccc2C(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol?
The InChIKey is JTGVFTXVGOQDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O2/c15-12-7-10(19)6-5-9(12)8-20-13-4-2-1-3-11(13)14(16,17)18/h1-7,19H,8H2.
What are the key properties of 3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol?
3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]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 3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol is sourced from PubChem (CID 117219491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).