1,3-bis(2,2,2-trifluoroethoxy)propane

C7H10F6O2 — CID 57255720

IUPAC1,3-bis(2,2,2-trifluoroethoxy)propane
SMILESFC(F)(F)COCCCOCC(F)(F)F
InChIInChI=1S/C7H10F6O2/c8-6(9,10)4-14-2-1-3-15-5-7(11,12)13/h1-5H2
InChIKeyYLEHTQCYYYXJRH-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.53
Rot. Bonds6

About 1,3-bis(2,2,2-trifluoroethoxy)propane

1,3-bis(2,2,2-trifluoroethoxy)propane (PubChem CID 57255720) has the molecular formula C7H10F6O2 and a molecular weight of 240.14 g/mol. Its IUPAC name is 1,3-bis(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name1,3-bis(2,2,2-trifluoroethoxy)propane
PubChem CID57255720
Molecular FormulaC7H10F6O2
Molecular Weight240.14 g/mol
Exact Mass240.06
IUPAC Name1,3-bis(2,2,2-trifluoroethoxy)propane
SMILESFC(F)(F)COCCCOCC(F)(F)F
InChIInChI=1S/C7H10F6O2/c8-6(9,10)4-14-2-1-3-15-5-7(11,12)13/h1-5H2
InChIKeyYLEHTQCYYYXJRH-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.53
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
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
9-(2,2,2-trifluoroethoxy)nonane-1-thiol
CID 71363525
2-(2,2,2-trifluoroethoxy)ethanamine
CID 2060297
2-(2,2,2-trifluoroethoxy)ethanolate
CID 59863337
2-(2,2,2-trifluoroethoxy)ethanethiol
CID 61490314
2-(2,2,2-trifluoroethoxy)ethyl hypofluorite
CID 89475011
1-chloro-2-(chloromethyl)-5-(2,2,2-trifluoroethoxy)pentane
CID 79447837
4-bromo-1-(2,2,2-trifluoroethoxy)pentane
CID 54772582
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429
4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine
CID 62340553
2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 21097608

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2,2-trifluoroethoxy)propane?
The IUPAC name of 1,3-bis(2,2,2-trifluoroethoxy)propane (CID 57255720) is 1,3-bis(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 1,3-bis(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for 1,3-bis(2,2,2-trifluoroethoxy)propane is FC(F)(F)COCCCOCC(F)(F)F.
What is the InChIKey of 1,3-bis(2,2,2-trifluoroethoxy)propane?
The InChIKey is YLEHTQCYYYXJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O2/c8-6(9,10)4-14-2-1-3-15-5-7(11,12)13/h1-5H2.
What are the key properties of 1,3-bis(2,2,2-trifluoroethoxy)propane?
1,3-bis(2,2,2-trifluoroethoxy)propane has a molecular weight of 240.14 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 57255720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).