1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane

C8H3F14I — CID 88505098

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane
SMILESFC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F14I/c9-2(23)1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h2H,1H2
InChIKeyNSWUFNPBDZJYOB-UHFFFAOYSA-N
MW491.99 g/mol
LogP5.85
Rot. Bonds6

About 1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane

1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane (PubChem CID 88505098) has the molecular formula C8H3F14I and a molecular weight of 491.99 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane
PubChem CID88505098
Molecular FormulaC8H3F14I
Molecular Weight491.99 g/mol
Exact Mass491.91
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane
SMILESFC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F14I/c9-2(23)1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h2H,1H2
InChIKeyNSWUFNPBDZJYOB-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.99
LogP ≤ 55.85
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'}

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Related Compounds

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CID 97290812
1,1,1,2,2,3,3,4,4,5,5,6,6,13,13,14,14,15,15,16,16,17,17,18,18,18-hexacosafluoro-8,11-diiodooctadecane
CID 138396324
CID 123910850
CID 123910850
1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluoro-7-iodotetradecane
CID 138396298
1,1,1,2,2,3,3,4,4,10,10,11,11,12,12,13,13,13-octadecafluoro-6,8-diiodotridecane
CID 138396289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,24-tetratriacontafluoro-10,15-diiodotetracosane
CID 138396333
(2S)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundecan-1-ol
CID 97290955
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,42-dotetracontafluoro-12,31-diiododotetracontane
CID 165366348
11,11-diethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodoundecane
CID 10747062
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-nonatriacontafluoro-21-methyldocosane
CID 58527537
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-methyltridecane
CID 59685379
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-3-iodododecan-2-ol
CID 134975406

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane (CID 88505098) is 1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane is FC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane?
The InChIKey is NSWUFNPBDZJYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F14I/c9-2(23)1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h2H,1H2.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane?
1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane has a molecular weight of 491.99 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane is sourced from PubChem (CID 88505098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).