10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid

C15H24F5IO2 — CID 142045753

IUPAC10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid
SMILESO=C(O)C(CCCCCCCCI)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H24F5IO2/c16-14(17,15(18,19)20)10-7-9-12(13(22)23)8-5-3-1-2-4-6-11-21/h12H,1-11H2,(H,22,23)
InChIKeyGAWXAKPBJCFWOM-UHFFFAOYSA-N
MW458.25 g/mol
LogP6.22
Rot. Bonds13

About 10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid

10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid (PubChem CID 142045753) has the molecular formula C15H24F5IO2 and a molecular weight of 458.25 g/mol. Its IUPAC name is 10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid.

Molecular Properties

Compound Name10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid
PubChem CID142045753
Molecular FormulaC15H24F5IO2
Molecular Weight458.25 g/mol
Exact Mass458.07
IUPAC Name10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid
SMILESO=C(O)C(CCCCCCCCI)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H24F5IO2/c16-14(17,15(18,19)20)10-7-9-12(13(22)23)8-5-3-1-2-4-6-11-21/h12H,1-11H2,(H,22,23)
InChIKeyGAWXAKPBJCFWOM-UHFFFAOYSA-N
XLogP6.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.25
LogP ≤ 56.22
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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Related Compounds

2-tert-butyl-11-iodoundecanoic acid
CID 88526895
8,8,8-trifluoro-2-propyloctanoic acid
CID 15512431
1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane
CID 90829003
2-butylheptacosanoic acid;2,2,2-trifluoroacetic acid
CID 175747417
7,7,7-trifluoro-2-propylheptanoic acid
CID 15512433
2-methylidene-3-(4,4,5,5,5-pentafluoropentyl)butanedioic acid
CID 87635300
2,8-bis(sulfanylmethyl)nonanedioic acid
CID 141431047
2-amino-8-iodooctanoic acid
CID 86114195
henicosane-1,11,21-tricarboxylic acid
CID 12632759
2-dodecyloctacosanoic acid
CID 90897371
5,5,6,6,6-pentafluorohexanoic acid
CID 12017059
2-heptadecylicosanoic acid
CID 57459073

Frequently Asked Questions

What is the IUPAC name of 10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid?
The IUPAC name of 10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid (CID 142045753) is 10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid.
What is the SMILES notation for 10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid?
The canonical SMILES for 10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid is O=C(O)C(CCCCCCCCI)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid?
The InChIKey is GAWXAKPBJCFWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F5IO2/c16-14(17,15(18,19)20)10-7-9-12(13(22)23)8-5-3-1-2-4-6-11-21/h12H,1-11H2,(H,22,23).
What are the key properties of 10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid?
10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid has a molecular weight of 458.25 g/mol, XLogP of 6.22, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iodo-2-(4,4,5,5,5-pentafluoropentyl)decanoic acid is sourced from PubChem (CID 142045753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).