1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane

C5H4F8O — CID 19063453

IUPAC1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane
SMILESFC(F)C(F)C(F)(F)COC(F)(F)F
InChIInChI=1S/C5H4F8O/c6-2(3(7)8)4(9,10)1-14-5(11,12)13/h2-3H,1H2
InChIKeyWKQNKCZFOVRNAB-UHFFFAOYSA-N
MW232.07 g/mol
LogP2.76
Rot. Bonds4

About 1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane

1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane (PubChem CID 19063453) has the molecular formula C5H4F8O and a molecular weight of 232.07 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane
PubChem CID19063453
Molecular FormulaC5H4F8O
Molecular Weight232.07 g/mol
Exact Mass232.01
IUPAC Name1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane
SMILESFC(F)C(F)C(F)(F)COC(F)(F)F
InChIInChI=1S/C5H4F8O/c6-2(3(7)8)4(9,10)1-14-5(11,12)13/h2-3H,1H2
InChIKeyWKQNKCZFOVRNAB-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane?
The IUPAC name of 1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane (CID 19063453) is 1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane?
The canonical SMILES for 1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane is FC(F)C(F)C(F)(F)COC(F)(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane?
The InChIKey is WKQNKCZFOVRNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O/c6-2(3(7)8)4(9,10)1-14-5(11,12)13/h2-3H,1H2.
What are the key properties of 1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane?
1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane has a molecular weight of 232.07 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-4-(trifluoromethoxy)butane is sourced from PubChem (CID 19063453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).