1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene

C10F18 — CID 139264064

IUPAC1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F18/c11-5(12,13)1-2(6(14,15)16)4(9(23,24)25,10(26,27)28)3(1,7(17,18)19)8(20,21)22
InChIKeyFTCMQNZDAKSQPP-UHFFFAOYSA-N
MW462.07 g/mol
LogP6.64
Rot. Bonds

About 1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene

1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene (PubChem CID 139264064) has the molecular formula C10F18 and a molecular weight of 462.07 g/mol. Its IUPAC name is 1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene
PubChem CID139264064
Molecular FormulaC10F18
Molecular Weight462.07 g/mol
Exact Mass461.97
IUPAC Name1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F18/c11-5(12,13)1-2(6(14,15)16)4(9(23,24)25,10(26,27)28)3(1,7(17,18)19)8(20,21)22
InChIKeyFTCMQNZDAKSQPP-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.07
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene?
The IUPAC name of 1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene (CID 139264064) is 1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene.
What is the SMILES notation for 1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene?
The canonical SMILES for 1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene is FC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene?
The InChIKey is FTCMQNZDAKSQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18/c11-5(12,13)1-2(6(14,15)16)4(9(23,24)25,10(26,27)28)3(1,7(17,18)19)8(20,21)22.
What are the key properties of 1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene?
1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene has a molecular weight of 462.07 g/mol, XLogP of 6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,4-hexakis(trifluoromethyl)cyclobutene is sourced from PubChem (CID 139264064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).