1,1,2,2,3,3-hexafluoro-1-methoxypropane

C4H4F6O — CID 22178541

IUPAC1,1,2,2,3,3-hexafluoro-1-methoxypropane
SMILESCOC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C4H4F6O/c1-11-4(9,10)3(7,8)2(5)6/h2H,1H3
InChIKeyCMRJNALMNDBXQC-UHFFFAOYSA-N
MW182.06 g/mol
LogP2.13
Rot. Bonds3

About 1,1,2,2,3,3-hexafluoro-1-methoxypropane

1,1,2,2,3,3-hexafluoro-1-methoxypropane (PubChem CID 22178541) has the molecular formula C4H4F6O and a molecular weight of 182.06 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-1-methoxypropane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-1-methoxypropane
PubChem CID22178541
Molecular FormulaC4H4F6O
Molecular Weight182.06 g/mol
Exact Mass182.02
IUPAC Name1,1,2,2,3,3-hexafluoro-1-methoxypropane
SMILESCOC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C4H4F6O/c1-11-4(9,10)3(7,8)2(5)6/h2H,1H3
InChIKeyCMRJNALMNDBXQC-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.06
LogP ≤ 52.13
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

Hexafluoroisopropyl methyl ether
CID 25749
1,1,1,3,3-Pentafluoro-3-methoxy-2-(trifluoromethyl)propane
CID 45459
Propane, 1,1,1,2,2,3,3-heptafluoro-3-methoxy-
CID 2774943
Ethoxynonafluorobutane
CID 206000
1-Ethoxy-1,1,2,2-tetrafluoroethane
CID 120272
1,1,2,2-Tetrafluoro-1-methoxyethane
CID 67926
3-(Difluoromethoxy)-1,1,2,2-tetrafluoropropane
CID 2737027
1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
CID 2776662
1,1,2,3,3,3-Hexafluoropropyl methyl ether
CID 2778364
Ethyl perfluoroisobutyl ether
CID 205999
2-(1,1-Difluoroethoxy)-1,1,1-trifluoroethane
CID 11840937
1,1,2,2-Tetrafluoro-3-methoxypropane
CID 2783340

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-1-methoxypropane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-1-methoxypropane (CID 22178541) is 1,1,2,2,3,3-hexafluoro-1-methoxypropane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-1-methoxypropane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-1-methoxypropane is COC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-1-methoxypropane?
The InChIKey is CMRJNALMNDBXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O/c1-11-4(9,10)3(7,8)2(5)6/h2H,1H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-1-methoxypropane?
1,1,2,2,3,3-hexafluoro-1-methoxypropane has a molecular weight of 182.06 g/mol, XLogP of 2.13, 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-methoxypropane is sourced from PubChem (CID 22178541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).