1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene

C22H19F3O2 — CID 159571173

IUPAC1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C22H19F3O2/c23-22(24,25)14-19-11-20(26-15-17-7-3-1-4-8-17)13-21(12-19)27-16-18-9-5-2-6-10-18/h1-13H,14-16H2
InChIKeyMHVLCJXEDHFBII-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.95
Rot. Bonds7

About 1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene

1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene (PubChem CID 159571173) has the molecular formula C22H19F3O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene
PubChem CID159571173
Molecular FormulaC22H19F3O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)(F)Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C22H19F3O2/c23-22(24,25)14-19-11-20(26-15-17-7-3-1-4-8-17)13-21(12-19)27-16-18-9-5-2-6-10-18/h1-13H,14-16H2
InChIKeyMHVLCJXEDHFBII-UHFFFAOYSA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene
CID 53216974
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
3-methoxy-5-phenylmethoxyaniline
CID 12658785
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
[3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane
CID 11982331
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene (CID 159571173) is 1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene is FC(F)(F)Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1.
What is the InChIKey of 1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene?
The InChIKey is MHVLCJXEDHFBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3O2/c23-22(24,25)14-19-11-20(26-15-17-7-3-1-4-8-17)13-21(12-19)27-16-18-9-5-2-6-10-18/h1-13H,14-16H2.
What are the key properties of 1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene?
1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene has a molecular weight of 372.39 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 159571173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).