1,1-difluoro-3-(trifluoromethyl)cyclobutane

C5H5F5 — CID 149228087

IUPAC1,1-difluoro-3-(trifluoromethyl)cyclobutane
SMILESFC1(F)CC(C(F)(F)F)C1
InChIInChI=1S/C5H5F5/c6-4(7)1-3(2-4)5(8,9)10/h3H,1-2H2
InChIKeyXJTMUZRHNIUZES-UHFFFAOYSA-N
MW160.08 g/mol
LogP2.59
Rot. Bonds

About 1,1-difluoro-3-(trifluoromethyl)cyclobutane

1,1-difluoro-3-(trifluoromethyl)cyclobutane (PubChem CID 149228087) has the molecular formula C5H5F5 and a molecular weight of 160.08 g/mol. Its IUPAC name is 1,1-difluoro-3-(trifluoromethyl)cyclobutane.

Molecular Properties

Compound Name1,1-difluoro-3-(trifluoromethyl)cyclobutane
PubChem CID149228087
Molecular FormulaC5H5F5
Molecular Weight160.08 g/mol
Exact Mass160.03
IUPAC Name1,1-difluoro-3-(trifluoromethyl)cyclobutane
SMILESFC1(F)CC(C(F)(F)F)C1
InChIInChI=1S/C5H5F5/c6-4(7)1-3(2-4)5(8,9)10/h3H,1-2H2
InChIKeyXJTMUZRHNIUZES-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.08
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(trifluoromethyl)cyclobutane?
The IUPAC name of 1,1-difluoro-3-(trifluoromethyl)cyclobutane (CID 149228087) is 1,1-difluoro-3-(trifluoromethyl)cyclobutane.
What is the SMILES notation for 1,1-difluoro-3-(trifluoromethyl)cyclobutane?
The canonical SMILES for 1,1-difluoro-3-(trifluoromethyl)cyclobutane is FC1(F)CC(C(F)(F)F)C1.
What is the InChIKey of 1,1-difluoro-3-(trifluoromethyl)cyclobutane?
The InChIKey is XJTMUZRHNIUZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5/c6-4(7)1-3(2-4)5(8,9)10/h3H,1-2H2.
What are the key properties of 1,1-difluoro-3-(trifluoromethyl)cyclobutane?
1,1-difluoro-3-(trifluoromethyl)cyclobutane has a molecular weight of 160.08 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(trifluoromethyl)cyclobutane is sourced from PubChem (CID 149228087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).