bis(2,2,3,3-tetrafluoropropoxy)methylbenzene

C13H12F8O2 — CID 12839498

IUPACbis(2,2,3,3-tetrafluoropropoxy)methylbenzene
SMILESFC(F)C(F)(F)COC(OCC(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C13H12F8O2/c14-10(15)12(18,19)6-22-9(8-4-2-1-3-5-8)23-7-13(20,21)11(16)17/h1-5,9-11H,6-7H2
InChIKeyYAAHZLCTCYVQOE-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.52
Rot. Bonds9

About bis(2,2,3,3-tetrafluoropropoxy)methylbenzene

bis(2,2,3,3-tetrafluoropropoxy)methylbenzene (PubChem CID 12839498) has the molecular formula C13H12F8O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is bis(2,2,3,3-tetrafluoropropoxy)methylbenzene.

Molecular Properties

Compound Namebis(2,2,3,3-tetrafluoropropoxy)methylbenzene
PubChem CID12839498
Molecular FormulaC13H12F8O2
Molecular Weight352.22 g/mol
Exact Mass352.07
IUPAC Namebis(2,2,3,3-tetrafluoropropoxy)methylbenzene
SMILESFC(F)C(F)(F)COC(OCC(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C13H12F8O2/c14-10(15)12(18,19)6-22-9(8-4-2-1-3-5-8)23-7-13(20,21)11(16)17/h1-5,9-11H,6-7H2
InChIKeyYAAHZLCTCYVQOE-UHFFFAOYSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

triphenyl-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane
CID 10459459
3,3,4,4-tetrafluoro-1-phenylbutan-1-ol
CID 164681881
[(E)-2-(2,2,3,3-tetrafluoropropoxy)ethenyl]benzene
CID 173305402
[fluoro-[fluoro(phenyl)methoxy]methyl]benzene
CID 57162404
didecoxymethylbenzene
CID 150039155
1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile
CID 170305306
(1S)-2-(difluoromethoxy)-1-phenylethanamine
CID 118168971
difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium
CID 23234580
(2,2,3-trifluoro-1-phenylpropyl)benzene
CID 21049795
2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
CID 21071395
N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline
CID 12696961
2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
CID 113248979

Frequently Asked Questions

What is the IUPAC name of bis(2,2,3,3-tetrafluoropropoxy)methylbenzene?
The IUPAC name of bis(2,2,3,3-tetrafluoropropoxy)methylbenzene (CID 12839498) is bis(2,2,3,3-tetrafluoropropoxy)methylbenzene.
What is the SMILES notation for bis(2,2,3,3-tetrafluoropropoxy)methylbenzene?
The canonical SMILES for bis(2,2,3,3-tetrafluoropropoxy)methylbenzene is FC(F)C(F)(F)COC(OCC(F)(F)C(F)F)c1ccccc1.
What is the InChIKey of bis(2,2,3,3-tetrafluoropropoxy)methylbenzene?
The InChIKey is YAAHZLCTCYVQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F8O2/c14-10(15)12(18,19)6-22-9(8-4-2-1-3-5-8)23-7-13(20,21)11(16)17/h1-5,9-11H,6-7H2.
What are the key properties of bis(2,2,3,3-tetrafluoropropoxy)methylbenzene?
bis(2,2,3,3-tetrafluoropropoxy)methylbenzene has a molecular weight of 352.22 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,3-tetrafluoropropoxy)methylbenzene is sourced from PubChem (CID 12839498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).