7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol

C14H12F17IO — CID 59389715

IUPAC7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol
SMILESOCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12F17IO/c15-7(16,5-6(32)3-1-2-4-33)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6,33H,1-5H2
InChIKeyLMORFZPQITYBGJ-UHFFFAOYSA-N
MW646.12 g/mol
LogP7.35
Rot. Bonds12

About 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol

7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol (PubChem CID 59389715) has the molecular formula C14H12F17IO and a molecular weight of 646.12 g/mol. Its IUPAC name is 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol.

Molecular Properties

Compound Name7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol
PubChem CID59389715
Molecular FormulaC14H12F17IO
Molecular Weight646.12 g/mol
Exact Mass645.97
IUPAC Name7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol
SMILESOCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12F17IO/c15-7(16,5-6(32)3-1-2-4-33)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6,33H,1-5H2
InChIKeyLMORFZPQITYBGJ-UHFFFAOYSA-N
XLogP7.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.12
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol?
The IUPAC name of 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol (CID 59389715) is 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol.
What is the SMILES notation for 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol?
The canonical SMILES for 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol is OCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol?
The InChIKey is LMORFZPQITYBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F17IO/c15-7(16,5-6(32)3-1-2-4-33)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6,33H,1-5H2.
What are the key properties of 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol?
7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol has a molecular weight of 646.12 g/mol, XLogP of 7.35, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-5-iodotetradecan-1-ol is sourced from PubChem (CID 59389715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).