1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane

C17H23F12I — CID 89292931

IUPAC1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane
SMILESCCC(C)(I)CCC(C)(C)C(F)(F)CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H23F12I/c1-5-12(4,30)7-6-11(2,3)14(19,20)9-10(15(21,22)23)8-13(18,16(24,25)26)17(27,28)29/h10H,5-9H2,1-4H3
InChIKeyWONIVKHYPZIVFI-UHFFFAOYSA-N
MW582.25 g/mol
LogP8.82
Rot. Bonds9

About 1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane

1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane (PubChem CID 89292931) has the molecular formula C17H23F12I and a molecular weight of 582.25 g/mol. Its IUPAC name is 1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane.

Molecular Properties

Compound Name1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane
PubChem CID89292931
Molecular FormulaC17H23F12I
Molecular Weight582.25 g/mol
Exact Mass582.07
IUPAC Name1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane
SMILESCCC(C)(I)CCC(C)(C)C(F)(F)CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H23F12I/c1-5-12(4,30)7-6-11(2,3)14(19,20)9-10(15(21,22)23)8-13(18,16(24,25)26)17(27,28)29/h10H,5-9H2,1-4H3
InChIKeyWONIVKHYPZIVFI-UHFFFAOYSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.25
LogP ≤ 58.82
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'}

Analyze 1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane with MolForge

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Related Compounds

3,3,7,8,8,8-hexafluoro-5,7-bis(trifluoromethyl)octane-1-thiol
CID 59721664
1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane
CID 143403547
(3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane
CID 170263516
6-iodo-4,6-bis(trifluoromethyl)oct-1-ene
CID 143087548
1-[7,8,8,8-tetrafluoro-3,5,7-tris(trifluoromethyl)octyl]sulfanylbutan-2-ol
CID 162582866
6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene
CID 91535959
1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methyloctane
CID 153324244
2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane
CID 90262453
2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane
CID 158342354
4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane
CID 58901248
1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane
CID 14417679
(2R)-2-bromo-1,1,1-trifluoro-2-iodopropane
CID 95757028

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane?
The IUPAC name of 1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane (CID 89292931) is 1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane.
What is the SMILES notation for 1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane?
The canonical SMILES for 1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane is CCC(C)(I)CCC(C)(C)C(F)(F)CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane?
The InChIKey is WONIVKHYPZIVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F12I/c1-5-12(4,30)7-6-11(2,3)14(19,20)9-10(15(21,22)23)8-13(18,16(24,25)26)17(27,28)29/h10H,5-9H2,1-4H3.
What are the key properties of 1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane?
1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane has a molecular weight of 582.25 g/mol, XLogP of 8.82, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane is sourced from PubChem (CID 89292931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).