1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene

C9F16 — CID 154989598

IUPAC1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene
SMILESFC1=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/C9F16/c10-2-1(5(11,12)13)3(6(14,15)16,7(17,18)19)4(2,8(20,21)22)9(23,24)25
InChIKeyRCTZQRBIMAOLQY-UHFFFAOYSA-N
MW412.07 g/mol
LogP6.01
Rot. Bonds

About 1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene

1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene (PubChem CID 154989598) has the molecular formula C9F16 and a molecular weight of 412.07 g/mol. Its IUPAC name is 1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene
PubChem CID154989598
Molecular FormulaC9F16
Molecular Weight412.07 g/mol
Exact Mass411.97
IUPAC Name1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene
SMILESFC1=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/C9F16/c10-2-1(5(11,12)13)3(6(14,15)16,7(17,18)19)4(2,8(20,21)22)9(23,24)25
InChIKeyRCTZQRBIMAOLQY-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.07
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene?
The IUPAC name of 1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene (CID 154989598) is 1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene.
What is the SMILES notation for 1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene?
The canonical SMILES for 1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene is FC1=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-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene?
The InChIKey is RCTZQRBIMAOLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F16/c10-2-1(5(11,12)13)3(6(14,15)16,7(17,18)19)4(2,8(20,21)22)9(23,24)25.
What are the key properties of 1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene?
1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene has a molecular weight of 412.07 g/mol, XLogP of 6.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3,3,4,4-pentakis(trifluoromethyl)cyclobutene is sourced from PubChem (CID 154989598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).