1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene

C11H4F16O — CID 159804646

IUPAC1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1=CC(F)(F)C1(F)F
InChIInChI=1S/C11H4F16O/c12-4(13)8(20,21)10(24,25)11(26,27)9(22,23)6(16,17)2-28-3-1-5(14,15)7(3,18)19/h1,4H,2H2
InChIKeyNKFTZBBDRLFMQT-UHFFFAOYSA-N
MW456.12 g/mol
LogP5.61
Rot. Bonds8

About 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene

1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene (PubChem CID 159804646) has the molecular formula C11H4F16O and a molecular weight of 456.12 g/mol. Its IUPAC name is 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene.

Molecular Properties

Compound Name1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene
PubChem CID159804646
Molecular FormulaC11H4F16O
Molecular Weight456.12 g/mol
Exact Mass456.00
IUPAC Name1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1=CC(F)(F)C1(F)F
InChIInChI=1S/C11H4F16O/c12-4(13)8(20,21)10(24,25)11(26,27)9(22,23)6(16,17)2-28-3-1-5(14,15)7(3,18)19/h1,4H,2H2
InChIKeyNKFTZBBDRLFMQT-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.12
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene
CID 162115036

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene?
The IUPAC name of 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene (CID 159804646) is 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene.
What is the SMILES notation for 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene?
The canonical SMILES for 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1=CC(F)(F)C1(F)F.
What is the InChIKey of 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene?
The InChIKey is NKFTZBBDRLFMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F16O/c12-4(13)8(20,21)10(24,25)11(26,27)9(22,23)6(16,17)2-28-3-1-5(14,15)7(3,18)19/h1,4H,2H2.
What are the key properties of 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene?
1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene has a molecular weight of 456.12 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-3,3,4,4-tetrafluorocyclobutene is sourced from PubChem (CID 159804646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).