1,1,2,3,4-pentafluoro-4-iodobutane

C4H4F5I — CID 87394488

IUPAC1,1,2,3,4-pentafluoro-4-iodobutane
SMILESFC(F)C(F)C(F)C(F)I
InChIInChI=1S/C4H4F5I/c5-1(3(7)8)2(6)4(9)10/h1-4H
InChIKeyRAWPXZCTLWMQFG-UHFFFAOYSA-N
MW273.97 g/mol
LogP2.66
Rot. Bonds3

About 1,1,2,3,4-pentafluoro-4-iodobutane

1,1,2,3,4-pentafluoro-4-iodobutane (PubChem CID 87394488) has the molecular formula C4H4F5I and a molecular weight of 273.97 g/mol. Its IUPAC name is 1,1,2,3,4-pentafluoro-4-iodobutane.

Molecular Properties

Compound Name1,1,2,3,4-pentafluoro-4-iodobutane
PubChem CID87394488
Molecular FormulaC4H4F5I
Molecular Weight273.97 g/mol
Exact Mass273.93
IUPAC Name1,1,2,3,4-pentafluoro-4-iodobutane
SMILESFC(F)C(F)C(F)C(F)I
InChIInChI=1S/C4H4F5I/c5-1(3(7)8)2(6)4(9)10/h1-4H
InChIKeyRAWPXZCTLWMQFG-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.97
LogP ≤ 52.66
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 1,1,2,3,4-pentafluoro-4-iodobutane?
The IUPAC name of 1,1,2,3,4-pentafluoro-4-iodobutane (CID 87394488) is 1,1,2,3,4-pentafluoro-4-iodobutane.
What is the SMILES notation for 1,1,2,3,4-pentafluoro-4-iodobutane?
The canonical SMILES for 1,1,2,3,4-pentafluoro-4-iodobutane is FC(F)C(F)C(F)C(F)I.
What is the InChIKey of 1,1,2,3,4-pentafluoro-4-iodobutane?
The InChIKey is RAWPXZCTLWMQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F5I/c5-1(3(7)8)2(6)4(9)10/h1-4H.
What are the key properties of 1,1,2,3,4-pentafluoro-4-iodobutane?
1,1,2,3,4-pentafluoro-4-iodobutane has a molecular weight of 273.97 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4-pentafluoro-4-iodobutane is sourced from PubChem (CID 87394488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).