2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol

C13H10F10O4 — CID 90123295

IUPAC2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol
SMILESOCCOc1ccccc1OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F10O4/c14-9(27-13(22,23)11(17,18)12(19,20)21)10(15,16)26-8-4-2-1-3-7(8)25-6-5-24/h1-4,9,24H,5-6H2
InChIKeyGXZOZVGVPZQPKD-UHFFFAOYSA-N
MW420.20 g/mol
LogP4.13
Rot. Bonds9

About 2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol

2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol (PubChem CID 90123295) has the molecular formula C13H10F10O4 and a molecular weight of 420.20 g/mol. Its IUPAC name is 2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol
PubChem CID90123295
Molecular FormulaC13H10F10O4
Molecular Weight420.20 g/mol
Exact Mass420.04
IUPAC Name2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol
SMILESOCCOc1ccccc1OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F10O4/c14-9(27-13(22,23)11(17,18)12(19,20)21)10(15,16)26-8-4-2-1-3-7(8)25-6-5-24/h1-4,9,24H,5-6H2
InChIKeyGXZOZVGVPZQPKD-UHFFFAOYSA-N
XLogP4.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol with MolForge

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Related Compounds

6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol
CID 104856727
4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde
CID 14618892
2-[2-[[2-(difluoromethoxy)phenyl]methoxy]phenoxy]ethanol
CID 78878305
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
2-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline
CID 139854943
2-[2-(2,2-difluorobutyl)phenoxy]ethanol
CID 58241862
1,2-bis(2-fluoroethoxy)benzene
CID 15058677
2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol
CID 139483924
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)phenol
CID 18448872
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea
CID 75373343
2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
CID 64803666

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol?
The IUPAC name of 2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol (CID 90123295) is 2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol?
The canonical SMILES for 2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol is OCCOc1ccccc1OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol?
The InChIKey is GXZOZVGVPZQPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F10O4/c14-9(27-13(22,23)11(17,18)12(19,20)21)10(15,16)26-8-4-2-1-3-7(8)25-6-5-24/h1-4,9,24H,5-6H2.
What are the key properties of 2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol?
2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol has a molecular weight of 420.20 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenoxy]ethanol is sourced from PubChem (CID 90123295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).