1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane

C4HF9O — CID 45075664

IUPAC1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane
SMILESFC(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C4HF9O/c5-1(6)2(7,8)3(9,10)14-4(11,12)13/h1H
InChIKeyGGGJFCBJUNVNMG-UHFFFAOYSA-N
MW236.03 g/mol
LogP3.02
Rot. Bonds3

About 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane

1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane (PubChem CID 45075664) has the molecular formula C4HF9O and a molecular weight of 236.03 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane
PubChem CID45075664
Molecular FormulaC4HF9O
Molecular Weight236.03 g/mol
Exact Mass235.99
IUPAC Name1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane
SMILESFC(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C4HF9O/c5-1(6)2(7,8)3(9,10)14-4(11,12)13/h1H
InChIKeyGGGJFCBJUNVNMG-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.03
LogP ≤ 53.02
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-((trifluorovinyl)oxy)propane
CID 6365941
1,1,2,2-Tetrafluoro-1-(trifluoromethoxy)ethane
CID 10943166
1,1,1,2,2,3,3-Heptafluoro-3-(trifluoromethoxy)propane
CID 13058078
Difluoromethyl 2,2,3,3,3-pentafluoropropyl ether
CID 92551
Difluoromethyl 2H-perfluoropropyl ether
CID 2778269
2a(Difluoromethoxy)a1,1,1,2,3,3ahexafluoropropane
CID 44582440
1-(Difluoromethoxy)-1,2,2,3,3-pentafluoropropane
CID 37027
1,1,2-Trifluoro-1-(trifluoromethoxy)ethane
CID 3741676
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

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane (CID 45075664) is 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane is FC(F)C(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane?
The InChIKey is GGGJFCBJUNVNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O/c5-1(6)2(7,8)3(9,10)14-4(11,12)13/h1H.
What are the key properties of 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane?
1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane has a molecular weight of 236.03 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)propane is sourced from PubChem (CID 45075664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).