1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane

C5H6F5I — CID 88590911

IUPAC1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane
SMILESCC(C(F)(F)F)C(F)(F)CI
InChIInChI=1S/C5H6F5I/c1-3(5(8,9)10)4(6,7)2-11/h3H,2H2,1H3
InChIKeyUTMRYWJIMHBWPF-UHFFFAOYSA-N
MW288.00 g/mol
LogP3.26
Rot. Bonds2

About 1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane

1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane (PubChem CID 88590911) has the molecular formula C5H6F5I and a molecular weight of 288.00 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane
PubChem CID88590911
Molecular FormulaC5H6F5I
Molecular Weight288.00 g/mol
Exact Mass287.94
IUPAC Name1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane
SMILESCC(C(F)(F)F)C(F)(F)CI
InChIInChI=1S/C5H6F5I/c1-3(5(8,9)10)4(6,7)2-11/h3H,2H2,1H3
InChIKeyUTMRYWJIMHBWPF-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.00
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane?
The IUPAC name of 1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane (CID 88590911) is 1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane?
The canonical SMILES for 1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane is CC(C(F)(F)F)C(F)(F)CI.
What is the InChIKey of 1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane?
The InChIKey is UTMRYWJIMHBWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5I/c1-3(5(8,9)10)4(6,7)2-11/h3H,2H2,1H3.
What are the key properties of 1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane?
1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane has a molecular weight of 288.00 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-4-iodo-2-methylbutane is sourced from PubChem (CID 88590911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).