1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane

C6H3F11O — CID 22002855

IUPAC1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F11O/c1-2(7,8)5(14,15)18-6(16,17)3(9,10)4(11,12)13/h1H3
InChIKeySIWCLZGTXVYIEQ-UHFFFAOYSA-N
MW300.07 g/mol
LogP4.04
Rot. Bonds4

About 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane

1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane (PubChem CID 22002855) has the molecular formula C6H3F11O and a molecular weight of 300.07 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane
PubChem CID22002855
Molecular FormulaC6H3F11O
Molecular Weight300.07 g/mol
Exact Mass300.00
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F11O/c1-2(7,8)5(14,15)18-6(16,17)3(9,10)4(11,12)13/h1H3
InChIKeySIWCLZGTXVYIEQ-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3-Hexafluoro-1-(trifluoromethoxy)propane
CID 45075664
Ethyl 1,1,2,3,3,3-Hexafluoropropyl Ether
CID 2775036
1,1,2,3,3,3-Hexafluoropropyl ether
CID 15155218
Difluoromethyl-1-fluoro-2,2,2-trifluoroethyl ether
CID 21647381
1,2-Trifluoroethyl-difluoromethyl ether
CID 23120850
Trifluoroethyldifluoromethyl ether
CID 57076582
Difluoro-ethylmethyl ether
CID 59628160
1,1a(2)-Oxybis[1,1-difluoroethane]
CID 18786208
1,1,1,2,2,3,3-Heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373
1,1,2,2,3,3,4,4-Octafluoro-1-(1,1,2,2-tetrafluoroethoxy)butane
CID 2783350
1,1,2,2-Tetrafluoroethylether
CID 3028313
1-Ethoxy-1,1,2,2,3,3,3-heptafluoropropane
CID 11586547

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane (CID 22002855) is 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane is CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane?
The InChIKey is SIWCLZGTXVYIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11O/c1-2(7,8)5(14,15)18-6(16,17)3(9,10)4(11,12)13/h1H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane?
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane has a molecular weight of 300.07 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2-tetrafluoropropoxy)propane is sourced from PubChem (CID 22002855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).