2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid

C5HClF8O2 — CID 165364661

IUPAC2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid
SMILESO=C(O)C(F)(Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HClF8O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
InChIKeyHYLJOWPWZWWART-UHFFFAOYSA-N
MW280.50 g/mol
LogP2.81
Rot. Bonds3

About 2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid

2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid (PubChem CID 165364661) has the molecular formula C5HClF8O2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid.

Molecular Properties

Compound Name2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid
PubChem CID165364661
Molecular FormulaC5HClF8O2
Molecular Weight280.50 g/mol
Exact Mass279.95
IUPAC Name2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid
SMILESO=C(O)C(F)(Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HClF8O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
InChIKeyHYLJOWPWZWWART-UHFFFAOYSA-N
XLogP2.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluorononanoic acid
CID 165364716
3-chloro-2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-docosafluorododecanoic acid
CID 165364662
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-octatriacontafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)icosanoic acid
CID 139774776
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)propanedioic acid
CID 169091833
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluoro(1,2-13C2)hexadecanoic acid
CID 165363579
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid;hydrochloride
CID 162574221
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-dihydroxyoctanoic acid
CID 150355855
alumane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 175046918
(2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid
CID 91107544
2-(1,1,2,2,2-pentafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)propanedioic acid
CID 169091830
CID 87197616
CID 87197616
silver;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
CID 142472251

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid?
The IUPAC name of 2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid (CID 165364661) is 2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid.
What is the SMILES notation for 2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid?
The canonical SMILES for 2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid is O=C(O)C(F)(Cl)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid?
The InChIKey is HYLJOWPWZWWART-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClF8O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16).
What are the key properties of 2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid?
2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid has a molecular weight of 280.50 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid is sourced from PubChem (CID 165364661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).