1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane

C10H13F7O — CID 56997371

IUPAC1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane
SMILESCCCCCCOC1(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H13F7O/c1-2-3-4-5-6-18-10(17)8(13,14)7(11,12)9(10,15)16/h2-6H2,1H3
InChIKeyAYCKEIOVBZUQRW-UHFFFAOYSA-N
MW282.20 g/mol
LogP4.17
Rot. Bonds6

About 1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane

1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane (PubChem CID 56997371) has the molecular formula C10H13F7O and a molecular weight of 282.20 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane
PubChem CID56997371
Molecular FormulaC10H13F7O
Molecular Weight282.20 g/mol
Exact Mass282.09
IUPAC Name1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane
SMILESCCCCCCOC1(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H13F7O/c1-2-3-4-5-6-18-10(17)8(13,14)7(11,12)9(10,15)16/h2-6H2,1H3
InChIKeyAYCKEIOVBZUQRW-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane
CID 154312425
trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane
CID 21080031
1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane
CID 57277549
ethane;octadecane
CID 143981738
decane;ruthenium
CID 160818595
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
dodecylmercury;hydrate
CID 78070234
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-octylperoxynonane
CID 151564626

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane?
The IUPAC name of 1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane (CID 56997371) is 1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane is CCCCCCOC1(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane?
The InChIKey is AYCKEIOVBZUQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F7O/c1-2-3-4-5-6-18-10(17)8(13,14)7(11,12)9(10,15)16/h2-6H2,1H3.
What are the key properties of 1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane?
1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane has a molecular weight of 282.20 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane is sourced from PubChem (CID 56997371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).