2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane

C11F23I — CID 174566096

IUPAC2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)I
InChIInChI=1S/C11F23I/c12-1(9(27,28)29,11(33,34)35)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)10(30,31)32
InChIKeySYWSPDUIHLXFPR-UHFFFAOYSA-N
MW695.98 g/mol
LogP8.29
Rot. Bonds8

About 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane

2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane (PubChem CID 174566096) has the molecular formula C11F23I and a molecular weight of 695.98 g/mol. Its IUPAC name is 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane.

Molecular Properties

Compound Name2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
PubChem CID174566096
Molecular FormulaC11F23I
Molecular Weight695.98 g/mol
Exact Mass695.87
IUPAC Name2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)I
InChIInChI=1S/C11F23I/c12-1(9(27,28)29,11(33,34)35)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)10(30,31)32
InChIKeySYWSPDUIHLXFPR-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.98
LogP ≤ 58.29
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

2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane
CID 139983372
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-hentriacontafluoro-14-iodopentadecane
CID 156790001
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane
CID 87743643
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane
CID 89413596
guanidine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-iododecane
CID 174886297
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentatriacontafluoro-9-[tris(trifluoromethoxy)methyl]heptadecane
CID 162167695
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane
CID 167303486

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane?
The IUPAC name of 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane (CID 174566096) is 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane.
What is the SMILES notation for 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane?
The canonical SMILES for 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)I.
What is the InChIKey of 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane?
The InChIKey is SYWSPDUIHLXFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F23I/c12-1(9(27,28)29,11(33,34)35)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)10(30,31)32.
What are the key properties of 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane?
2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane has a molecular weight of 695.98 g/mol, XLogP of 8.29, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane is sourced from PubChem (CID 174566096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).