1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane

C7H7F5 — CID 58981550

IUPAC1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane
SMILESFC(F)=C(C1CCC1)C(F)(F)F
InChIInChI=1S/C7H7F5/c8-6(9)5(7(10,11)12)4-2-1-3-4/h4H,1-3H2
InChIKeyJMUAEXCBCAGGGC-UHFFFAOYSA-N
MW186.12 g/mol
LogP3.50
Rot. Bonds1

About 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane

1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane (PubChem CID 58981550) has the molecular formula C7H7F5 and a molecular weight of 186.12 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane.

Molecular Properties

Compound Name1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane
PubChem CID58981550
Molecular FormulaC7H7F5
Molecular Weight186.12 g/mol
Exact Mass186.05
IUPAC Name1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane
SMILESFC(F)=C(C1CCC1)C(F)(F)F
InChIInChI=1S/C7H7F5/c8-6(9)5(7(10,11)12)4-2-1-3-4/h4H,1-3H2
InChIKeyJMUAEXCBCAGGGC-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[3,3-Difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane
CID 58999459
3,3,3-Trifluoroprop-1-en-2-ylcyclobutane
CID 143993602

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane?
The IUPAC name of 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane (CID 58981550) is 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane.
What is the SMILES notation for 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane?
The canonical SMILES for 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane is FC(F)=C(C1CCC1)C(F)(F)F.
What is the InChIKey of 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane?
The InChIKey is JMUAEXCBCAGGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5/c8-6(9)5(7(10,11)12)4-2-1-3-4/h4H,1-3H2.
What are the key properties of 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane?
1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane has a molecular weight of 186.12 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclobutane is sourced from PubChem (CID 58981550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).