1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane

C7H8F8O — CID 88558628

IUPAC1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane
SMILESFC(F)(F)CCCOC(F)(F)CC(F)(F)F
InChIInChI=1S/C7H8F8O/c8-5(9,10)2-1-3-16-7(14,15)4-6(11,12)13/h1-4H2
InChIKeyMNQVQSDWCFTURM-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.89
Rot. Bonds5

About 1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane

1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane (PubChem CID 88558628) has the molecular formula C7H8F8O and a molecular weight of 260.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane
PubChem CID88558628
Molecular FormulaC7H8F8O
Molecular Weight260.12 g/mol
Exact Mass260.04
IUPAC Name1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane
SMILESFC(F)(F)CCCOC(F)(F)CC(F)(F)F
InChIInChI=1S/C7H8F8O/c8-5(9,10)2-1-3-16-7(14,15)4-6(11,12)13/h1-4H2
InChIKeyMNQVQSDWCFTURM-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)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 1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane?
The IUPAC name of 1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane (CID 88558628) is 1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane.
What is the SMILES notation for 1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane?
The canonical SMILES for 1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane is FC(F)(F)CCCOC(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane?
The InChIKey is MNQVQSDWCFTURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F8O/c8-5(9,10)2-1-3-16-7(14,15)4-6(11,12)13/h1-4H2.
What are the key properties of 1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane?
1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane has a molecular weight of 260.12 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane is sourced from PubChem (CID 88558628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).