1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane

C6HF12I — CID 88645116

IUPAC1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane
SMILESFC(C(F)(F)C(F)(F)I)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF12I/c7-1(3(10,11)6(17,18)19)2(8,9)4(12,13)5(14,15)16/h1H
InChIKeyXEWRKVVKCBVYQM-UHFFFAOYSA-N
MW427.95 g/mol
LogP4.82
Rot. Bonds4

About 1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane

1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane (PubChem CID 88645116) has the molecular formula C6HF12I and a molecular weight of 427.95 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane
PubChem CID88645116
Molecular FormulaC6HF12I
Molecular Weight427.95 g/mol
Exact Mass427.89
IUPAC Name1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane
SMILESFC(C(F)(F)C(F)(F)I)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF12I/c7-1(3(10,11)6(17,18)19)2(8,9)4(12,13)5(14,15)16/h1H
InChIKeyXEWRKVVKCBVYQM-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 54.82
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol
CID 91384893
1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol
CID 174363014
1,1,2,2,3,4,4-heptafluoro-1-iodobutane
CID 19937939
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecane-1-thiol
CID 18387026
2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane
CID 139983372
trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride
CID 87697367
4,5,5,6,6,7,7,7-octafluoro-2-iodo-3-(trifluoromethyl)heptanoic acid
CID 151348813
1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane
CID 123425795
1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-(2,3,3,4,5,5,6,6,7,7,7-undecafluoroheptan-2-yl)benzene
CID 167303395
1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane
CID 87613315
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane
CID 91322713

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane?
The IUPAC name of 1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane (CID 88645116) is 1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane?
The canonical SMILES for 1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane is FC(C(F)(F)C(F)(F)I)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane?
The InChIKey is XEWRKVVKCBVYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF12I/c7-1(3(10,11)6(17,18)19)2(8,9)4(12,13)5(14,15)16/h1H.
What are the key properties of 1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane?
1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane has a molecular weight of 427.95 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,5,5,6,6-dodecafluoro-6-iodohexane is sourced from PubChem (CID 88645116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).