3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane

C10H13F7O2 — CID 22906195

IUPAC3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane
SMILESCC(OCC(F)(F)C(F)(F)C(F)(F)F)C1(C)COC1
InChIInChI=1S/C10H13F7O2/c1-6(7(2)3-18-4-7)19-5-8(11,12)9(13,14)10(15,16)17/h6H,3-5H2,1-2H3
InChIKeyYMPWHLILVOSKDT-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.26
Rot. Bonds5

About 3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane

3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane (PubChem CID 22906195) has the molecular formula C10H13F7O2 and a molecular weight of 298.20 g/mol. Its IUPAC name is 3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane
PubChem CID22906195
Molecular FormulaC10H13F7O2
Molecular Weight298.20 g/mol
Exact Mass298.08
IUPAC Name3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane
SMILESCC(OCC(F)(F)C(F)(F)C(F)(F)F)C1(C)COC1
InChIInChI=1S/C10H13F7O2/c1-6(7(2)3-18-4-7)19-5-8(11,12)9(13,14)10(15,16)17/h6H,3-5H2,1-2H3
InChIKeyYMPWHLILVOSKDT-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,2,3,3,4,4,4-Heptafluorobutoxy)methyl]-3-methyloxetane
CID 22015266
3-Methyl-3-(1,1,2,3,3,4,4,4-octafluorobutoxymethyl)oxetane
CID 12010403
2,2-Difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane
CID 20759157
3-(1,1,2,2,3,3,4-Heptafluorobutoxymethyl)-3-methyloxetane
CID 22247110
3-(1,1,2,2,3,4,4-Heptafluorobutoxymethyl)-3-methyloxetane
CID 22247119
3-[2-(2,2,3,3,4,4,4-Heptafluorobutoxy)ethyl]-3-methyloxetane
CID 53757264
3,3-Bis[difluoro(1,1,2,2,3-pentafluorobutoxy)methyl]oxetane
CID 53919341
3-Ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane
CID 56949555
2-Methyl-1,3-bis(2,2,2-trifluoroethoxy)butane
CID 57035139
1-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane
CID 57915811
1-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-2-(methoxymethyl)butane
CID 57915853
1-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-2-methylbutane
CID 57915859

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane?
The IUPAC name of 3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane (CID 22906195) is 3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane.
What is the SMILES notation for 3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane?
The canonical SMILES for 3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane is CC(OCC(F)(F)C(F)(F)C(F)(F)F)C1(C)COC1.
What is the InChIKey of 3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane?
The InChIKey is YMPWHLILVOSKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F7O2/c1-6(7(2)3-18-4-7)19-5-8(11,12)9(13,14)10(15,16)17/h6H,3-5H2,1-2H3.
What are the key properties of 3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane?
3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane has a molecular weight of 298.20 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]-3-methyloxetane is sourced from PubChem (CID 22906195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).