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

C7H7F9O — CID 155372956

IUPAC1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane
SMILESCCCC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C7H7F9O/c1-2-3-4(8,9)5(10,11)6(12,13)17-7(14,15)16/h2-3H2,1H3
InChIKeyGXVQPGMOJJNJHQ-UHFFFAOYSA-N
MW278.11 g/mol
LogP4.19
Rot. Bonds5

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

1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane (PubChem CID 155372956) has the molecular formula C7H7F9O and a molecular weight of 278.11 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane
PubChem CID155372956
Molecular FormulaC7H7F9O
Molecular Weight278.11 g/mol
Exact Mass278.04
IUPAC Name1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane
SMILESCCCC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C7H7F9O/c1-2-3-4(8,9)5(10,11)6(12,13)17-7(14,15)16/h2-3H2,1H3
InChIKeyGXVQPGMOJJNJHQ-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 54.19
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

1,2,2,3,3,4,4-heptafluoroheptane-1,1-diol
CID 150787690
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol
CID 87670862
1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene
CID 87084484
2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol
CID 66573360
ethane;2,3,3-trifluoro-2-methylhexane
CID 178006471
10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol
CID 121403306
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene
CID 87394996
1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-7,7-dimethyloctane
CID 168817953
1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane
CID 59966875
3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol
CID 155219958
potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate
CID 122480837
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane (CID 155372956) is 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane is CCCC(F)(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)hexane?
The InChIKey is GXVQPGMOJJNJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O/c1-2-3-4(8,9)5(10,11)6(12,13)17-7(14,15)16/h2-3H2,1H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane?
1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane has a molecular weight of 278.11 g/mol, XLogP of 4.19, 5 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)hexane is sourced from PubChem (CID 155372956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).