1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane

C12H19F7O3 — CID 154595647

IUPAC1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane
SMILESCCC(F)(F)OC(C)(F)OC(C)(C)C(F)(F)OC(F)(F)CC
InChIInChI=1S/C12H19F7O3/c1-6-10(14,15)21-9(5,13)20-8(3,4)12(18,19)22-11(16,17)7-2/h6-7H2,1-5H3
InChIKeyIQAGMXBERWCFEE-UHFFFAOYSA-N
MW344.27 g/mol
LogP5.06
Rot. Bonds9

About 1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane

1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane (PubChem CID 154595647) has the molecular formula C12H19F7O3 and a molecular weight of 344.27 g/mol. Its IUPAC name is 1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane.

Molecular Properties

Compound Name1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane
PubChem CID154595647
Molecular FormulaC12H19F7O3
Molecular Weight344.27 g/mol
Exact Mass344.12
IUPAC Name1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane
SMILESCCC(F)(F)OC(C)(F)OC(C)(C)C(F)(F)OC(F)(F)CC
InChIInChI=1S/C12H19F7O3/c1-6-10(14,15)21-9(5,13)20-8(3,4)12(18,19)22-11(16,17)7-2/h6-7H2,1-5H3
InChIKeyIQAGMXBERWCFEE-UHFFFAOYSA-N
XLogP5.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.27
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane with MolForge

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Related Compounds

1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane
CID 87287129
1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane
CID 131973030
1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane
CID 59492085
1,1-difluoro-1-propan-2-yloxypropane
CID 154670708
ethane;2-fluoro-2-methylbutane
CID 143329956
1-ethoxy-1,1,2,2,3,3-hexafluorobutane
CID 152519204
1,1,2-trifluoro-2-methyl-1-(1,1,2-trifluoro-2-methylpropoxy)propane
CID 87276476
difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane
CID 123616702
2,2-difluoro-2-[1,1,2,2-tetrafluoro-3-methyl-1-(3,3,4,4,5,5,6,6,6-nonafluoro-2-methylhexan-2-yl)oxypentan-3-yl]oxyethanol
CID 130331500
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethanol
CID 87104416
2-ethoxy-2-fluorobutane
CID 89114459
1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol
CID 118098168

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane?
The IUPAC name of 1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane (CID 154595647) is 1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane.
What is the SMILES notation for 1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane?
The canonical SMILES for 1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane is CCC(F)(F)OC(C)(F)OC(C)(C)C(F)(F)OC(F)(F)CC.
What is the InChIKey of 1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane?
The InChIKey is IQAGMXBERWCFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F7O3/c1-6-10(14,15)21-9(5,13)20-8(3,4)12(18,19)22-11(16,17)7-2/h6-7H2,1-5H3.
What are the key properties of 1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane?
1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane has a molecular weight of 344.27 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane is sourced from PubChem (CID 154595647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).