2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide

C7HF12IO — CID 2776135

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide
SMILESO=C(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7HF12IO/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H
InChIKeyQDBXDEBHXUNRMW-UHFFFAOYSA-N
MW455.96 g/mol
LogP4.39
Rot. Bonds6

About 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide (PubChem CID 2776135) has the molecular formula C7HF12IO and a molecular weight of 455.96 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide
PubChem CID2776135
Molecular FormulaC7HF12IO
Molecular Weight455.96 g/mol
Exact Mass455.89
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide
SMILESO=C(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7HF12IO/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H
InChIKeyQDBXDEBHXUNRMW-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.96
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorodecanoic acid
CID 23136187
azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid
CID 122236832
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononaneperoxoate
CID 23112153
fluoro 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-triacontafluorohexadecanoate
CID 87145953
1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9-hexadecafluorononan-5-one
CID 87966898
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorononoxy)hexanoic acid
CID 163324597
N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
CID 5199727
N-cyclopropyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
CID 3089677
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one
CID 3430081
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol
CID 87824444
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-hexacosafluorotridecan-1-ol
CID 118339748
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctyl hydrogen carbonate
CID 89413924

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide (CID 2776135) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide is O=C(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide?
The InChIKey is QDBXDEBHXUNRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF12IO/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide?
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide has a molecular weight of 455.96 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide is sourced from PubChem (CID 2776135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).