1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane

C5H5F7O2 — CID 173044414

IUPAC1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane
SMILESCOC(OC(F)(F)C(F)(F)F)C(F)F
InChIInChI=1S/C5H5F7O2/c1-13-3(2(6)7)14-5(11,12)4(8,9)10/h2-3H,1H3
InChIKeyTUXCXOKEQPYDJS-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.40
Rot. Bonds4

About 1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane

1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane (PubChem CID 173044414) has the molecular formula C5H5F7O2 and a molecular weight of 230.08 g/mol. Its IUPAC name is 1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane
PubChem CID173044414
Molecular FormulaC5H5F7O2
Molecular Weight230.08 g/mol
Exact Mass230.02
IUPAC Name1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane
SMILESCOC(OC(F)(F)C(F)(F)F)C(F)F
InChIInChI=1S/C5H5F7O2/c1-13-3(2(6)7)14-5(11,12)4(8,9)10/h2-3H,1H3
InChIKeyTUXCXOKEQPYDJS-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.40
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

1-[1,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1,2,2,2-pentafluoroethane
CID 175740142
1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane
CID 174963973
1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine
CID 118010605
1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane
CID 20606324
3-(dimethoxymethyl)-2,2-difluoropentane
CID 173353796
(2R)-1,1,1,2-tetrafluoro-2-methoxyethane
CID 14272779
(2S)-1,1,1,2-tetrafluoro-2-methoxyethane
CID 10986261
1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane
CID 89251354
1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane
CID 131727729
[1,2,2,2-tetrafluoro-1-(1-fluoroethoxy)ethyl]phosphane
CID 90473028
difluoro(methoxy)methane;methoxymethane;trifluoro(methoxy)methane
CID 158880331
1,1,1,2,4,4,4-heptafluoro-3-methoxybutane
CID 57200862

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane (CID 173044414) is 1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane is COC(OC(F)(F)C(F)(F)F)C(F)F.
What is the InChIKey of 1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane?
The InChIKey is TUXCXOKEQPYDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7O2/c1-13-3(2(6)7)14-5(11,12)4(8,9)10/h2-3H,1H3.
What are the key properties of 1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane?
1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane has a molecular weight of 230.08 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 173044414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).