1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane

C4ClF8I — CID 11046660

IUPAC1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C4ClF8I/c5-3(10,11)1(6,7)2(8,9)4(12,13)14
InChIKeyUTORKRMXLIPMRJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.12
Rot. Bonds3

About 1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane

1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane (PubChem CID 11046660) has the molecular formula C4ClF8I and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane.

Molecular Properties

Compound Name1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane
PubChem CID11046660
Molecular FormulaC4ClF8I
Molecular Weight362.39 g/mol
Exact Mass361.86
IUPAC Name1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C4ClF8I/c5-3(10,11)1(6,7)2(8,9)4(12,13)14
InChIKeyUTORKRMXLIPMRJ-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.12
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane 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-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane?
The IUPAC name of 1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane (CID 11046660) is 1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane.
What is the SMILES notation for 1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane?
The canonical SMILES for 1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane is FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)I.
What is the InChIKey of 1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane?
The InChIKey is UTORKRMXLIPMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4ClF8I/c5-3(10,11)1(6,7)2(8,9)4(12,13)14.
What are the key properties of 1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane?
1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane has a molecular weight of 362.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane is sourced from PubChem (CID 11046660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).