1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane

C17H27F10I — CID 90829003

IUPAC1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane
SMILESCCCCCCCC(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)CCCCCCI
InChIInChI=1S/C9H15F5.C8H12F5I/c1-2-3-4-5-6-7-8(10,11)9(12,13)14;9-7(10,8(11,12)13)5-3-1-2-4-6-14/h2-7H2,1H3;1-6H2
InChIKeyGWCLWPMBCBMVCR-UHFFFAOYSA-N
MW548.29 g/mol
LogP9.11
Rot. Bonds12

About 1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane

1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane (PubChem CID 90829003) has the molecular formula C17H27F10I and a molecular weight of 548.29 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane
PubChem CID90829003
Molecular FormulaC17H27F10I
Molecular Weight548.29 g/mol
Exact Mass548.10
IUPAC Name1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane
SMILESCCCCCCCC(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)CCCCCCI
InChIInChI=1S/C9H15F5.C8H12F5I/c1-2-3-4-5-6-7-8(10,11)9(12,13)14;9-7(10,8(11,12)13)5-3-1-2-4-6-14/h2-7H2,1H3;1-6H2
InChIKeyGWCLWPMBCBMVCR-UHFFFAOYSA-N
XLogP9.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.29
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane with MolForge

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

Launch Full Analysis

Related Compounds

1,1,1,2,2-pentafluorononadecane
CID 98452406
1-(7,7,8,8,8-pentafluorooctoxy)dodecane
CID 122503667
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
CID 175765895
CID 175765895
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
1-iodotetradecane;phosphane
CID 88696051
1-iodooctane;phosphane
CID 88789975
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-17-iodoheptadecane
CID 15528996

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane?
The IUPAC name of 1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane (CID 90829003) is 1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane is CCCCCCCC(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)CCCCCCI.
What is the InChIKey of 1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane?
The InChIKey is GWCLWPMBCBMVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F5.C8H12F5I/c1-2-3-4-5-6-7-8(10,11)9(12,13)14;9-7(10,8(11,12)13)5-3-1-2-4-6-14/h2-7H2,1H3;1-6H2.
What are the key properties of 1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane?
1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane has a molecular weight of 548.29 g/mol, XLogP of 9.11, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane is sourced from PubChem (CID 90829003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).