2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane

C7H11F5O2 — CID 175613997

IUPAC2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane
SMILESCC(F)(F)COCCOCC(F)(F)F
InChIInChI=1S/C7H11F5O2/c1-6(8,9)4-13-2-3-14-5-7(10,11)12/h2-5H2,1H3
InChIKeyJVLYZQNMGPIABR-UHFFFAOYSA-N
MW222.15 g/mol
LogP2.24
Rot. Bonds6

About 2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane

2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane (PubChem CID 175613997) has the molecular formula C7H11F5O2 and a molecular weight of 222.15 g/mol. Its IUPAC name is 2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane.

Molecular Properties

Compound Name2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane
PubChem CID175613997
Molecular FormulaC7H11F5O2
Molecular Weight222.15 g/mol
Exact Mass222.07
IUPAC Name2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane
SMILESCC(F)(F)COCCOCC(F)(F)F
InChIInChI=1S/C7H11F5O2/c1-6(8,9)4-13-2-3-14-5-7(10,11)12/h2-5H2,1H3
InChIKeyJVLYZQNMGPIABR-UHFFFAOYSA-N
XLogP2.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane
CID 175614014
1-(2,2-difluoropropoxy)-2,2-difluoropropane
CID 142789331
2-(2,2,2-trifluoroethoxy)ethyl hypofluorite
CID 89475011
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 21097608
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515
2-(2,2,2-trifluoroethoxy)ethanolate
CID 59863337
2-(2,2,2-trifluoroethoxy)ethanamine
CID 2060297
2-(2,2,2-trifluoroethoxy)ethanethiol
CID 61490314
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane
CID 153342663

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane?
The IUPAC name of 2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane (CID 175613997) is 2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane.
What is the SMILES notation for 2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane?
The canonical SMILES for 2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane is CC(F)(F)COCCOCC(F)(F)F.
What is the InChIKey of 2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane?
The InChIKey is JVLYZQNMGPIABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5O2/c1-6(8,9)4-13-2-3-14-5-7(10,11)12/h2-5H2,1H3.
What are the key properties of 2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane?
2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane has a molecular weight of 222.15 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane is sourced from PubChem (CID 175613997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).