2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane

C8H9F7O3 — CID 130284264

IUPAC2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane
SMILESFCOC(F)(OC(F)(F)C1CCCO1)C(F)(F)F
InChIInChI=1S/C8H9F7O3/c9-4-17-8(15,7(12,13)14)18-6(10,11)5-2-1-3-16-5/h5H,1-4H2
InChIKeyRMRUKONVQKFZHQ-UHFFFAOYSA-N
MW286.14 g/mol
LogP2.90
Rot. Bonds5

About 2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane

2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane (PubChem CID 130284264) has the molecular formula C8H9F7O3 and a molecular weight of 286.14 g/mol. Its IUPAC name is 2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane.

Molecular Properties

Compound Name2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane
PubChem CID130284264
Molecular FormulaC8H9F7O3
Molecular Weight286.14 g/mol
Exact Mass286.04
IUPAC Name2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane
SMILESFCOC(F)(OC(F)(F)C1CCCO1)C(F)(F)F
InChIInChI=1S/C8H9F7O3/c9-4-17-8(15,7(12,13)14)18-6(10,11)5-2-1-3-16-5/h5H,1-4H2
InChIKeyRMRUKONVQKFZHQ-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one
CID 59741487
2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane
CID 19783535
2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
CID 99640388
1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine
CID 57486602
1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol
CID 89068349
2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane
CID 139743782
methanediol;2-(oxolan-2-yl)propan-2-yl 2,2,2-trifluoroacetate
CID 156747447
2-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]ethyl]oxolane
CID 102446330
O-[2-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104720
2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine
CID 130408091
(2R)-2-[(2S)-oxolan-2-yl]butan-2-ol
CID 10012031
oxirane;1,1,1,2-tetrafluoroethane
CID 121447840

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane?
The IUPAC name of 2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane (CID 130284264) is 2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane.
What is the SMILES notation for 2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane?
The canonical SMILES for 2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane is FCOC(F)(OC(F)(F)C1CCCO1)C(F)(F)F.
What is the InChIKey of 2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane?
The InChIKey is RMRUKONVQKFZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7O3/c9-4-17-8(15,7(12,13)14)18-6(10,11)5-2-1-3-16-5/h5H,1-4H2.
What are the key properties of 2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane?
2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane has a molecular weight of 286.14 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane is sourced from PubChem (CID 130284264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).