1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane

C10H6F12 — CID 548581

IUPAC1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane
SMILESFC1(F)CC(C(F)(F)C(F)(F)C2CC(F)(F)C2(F)F)C1(F)F
InChIInChI=1S/C10H6F12/c11-5(12)1-3(7(5,15)16)9(19,20)10(21,22)4-2-6(13,14)8(4,17)18/h3-4H,1-2H2
InChIKeyKZMBHPBDAKDTAV-UHFFFAOYSA-N
MW354.13 g/mol
LogP4.84
Rot. Bonds3

About 1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane

1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane (PubChem CID 548581) has the molecular formula C10H6F12 and a molecular weight of 354.13 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane
PubChem CID548581
Molecular FormulaC10H6F12
Molecular Weight354.13 g/mol
Exact Mass354.03
IUPAC Name1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane
SMILESFC1(F)CC(C(F)(F)C(F)(F)C2CC(F)(F)C2(F)F)C1(F)F
InChIInChI=1S/C10H6F12/c11-5(12)1-3(7(5,15)16)9(19,20)10(21,22)4-2-6(13,14)8(4,17)18/h3-4H,1-2H2
InChIKeyKZMBHPBDAKDTAV-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.13
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetrafluoro-3-(1,1,2,2,2-pentafluoroethyl)cyclobutane
CID 12025751
1,1,2,2-tetrafluoro-3-(1,1,2,2-tetrafluorobut-3-enyl)cyclobutane
CID 555505
2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane
CID 556598
3-ethynyl-1,1,2,2-tetrafluorocyclobutane
CID 154103516
1,1-difluoro-3-(trifluoromethyl)cyclobutane
CID 149228087
2,2,3,3-tetrafluorocyclobutane-1-carboxylate
CID 74420491
5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115020913
1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane
CID 155670542
3,3-bis(trifluoromethyl)cyclobutan-1-amine
CID 50989714
(3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane
CID 174329394
2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde
CID 168979640
2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetonitrile
CID 28820244

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane?
The IUPAC name of 1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane (CID 548581) is 1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane is FC1(F)CC(C(F)(F)C(F)(F)C2CC(F)(F)C2(F)F)C1(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane?
The InChIKey is KZMBHPBDAKDTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F12/c11-5(12)1-3(7(5,15)16)9(19,20)10(21,22)4-2-6(13,14)8(4,17)18/h3-4H,1-2H2.
What are the key properties of 1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane?
1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane has a molecular weight of 354.13 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(2,2,3,3-tetrafluorocyclobutyl)ethyl]cyclobutane is sourced from PubChem (CID 548581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).