7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane

C12H14F11I — CID 153324304

IUPAC7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane
SMILESCCCC(I)(CC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14F11I/c1-3-5-7(24,4-2)6-8(13,14)9(15,16)10(17,18)11(19,20)12(21,22)23/h3-6H2,1-2H3
InChIKeyXOOGIDUXNVMHKG-UHFFFAOYSA-N
MW494.13 g/mol
LogP6.86
Rot. Bonds8

About 7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane

7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane (PubChem CID 153324304) has the molecular formula C12H14F11I and a molecular weight of 494.13 g/mol. Its IUPAC name is 7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane.

Molecular Properties

Compound Name7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane
PubChem CID153324304
Molecular FormulaC12H14F11I
Molecular Weight494.13 g/mol
Exact Mass494.00
IUPAC Name7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane
SMILESCCCC(I)(CC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14F11I/c1-3-5-7(24,4-2)6-8(13,14)9(15,16)10(17,18)11(19,20)12(21,22)23/h3-6H2,1-2H3
InChIKeyXOOGIDUXNVMHKG-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.13
LogP ≤ 56.86
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 7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane 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

10-ethyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodoheptadecane
CID 150952693
6-ethyl-1,1,1,2,2,3,3,4,4-nonafluoro-6-iodoundecane
CID 153324032
1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methyloctane
CID 153324244
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodo-10-methylundecane
CID 151423454
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-6-methylheptane
CID 153324351
ethane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetradecane
CID 142493287
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane
CID 153324207
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoro-13,13-dimethyltetradecane
CID 167303631
methyl 4-ethyl-2,2-difluoro-4-iodoheptanoate
CID 153324326
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane?
The IUPAC name of 7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane (CID 153324304) is 7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane.
What is the SMILES notation for 7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane?
The canonical SMILES for 7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane is CCCC(I)(CC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane?
The InChIKey is XOOGIDUXNVMHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F11I/c1-3-5-7(24,4-2)6-8(13,14)9(15,16)10(17,18)11(19,20)12(21,22)23/h3-6H2,1-2H3.
What are the key properties of 7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane?
7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane has a molecular weight of 494.13 g/mol, XLogP of 6.86, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane is sourced from PubChem (CID 153324304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).