2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate

C8H4F10O4 — CID 87611035

IUPAC2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate
SMILESO=C(OOC(=O)C(F)(F)C(F)(F)CF)C(F)(F)C(F)(F)CF
InChIInChI=1S/C8H4F10O4/c9-1-5(11,12)7(15,16)3(19)21-22-4(20)8(17,18)6(13,14)2-10/h1-2H2
InChIKeyOCLKXARHTYEYFG-UHFFFAOYSA-N
MW354.10 g/mol
LogP2.47
Rot. Bonds6

About 2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate

2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate (PubChem CID 87611035) has the molecular formula C8H4F10O4 and a molecular weight of 354.10 g/mol. Its IUPAC name is 2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate.

Molecular Properties

Compound Name2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate
PubChem CID87611035
Molecular FormulaC8H4F10O4
Molecular Weight354.10 g/mol
Exact Mass353.99
IUPAC Name2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate
SMILESO=C(OOC(=O)C(F)(F)C(F)(F)CF)C(F)(F)C(F)(F)CF
InChIInChI=1S/C8H4F10O4/c9-1-5(11,12)7(15,16)3(19)21-22-4(20)8(17,18)6(13,14)2-10/h1-2H2
InChIKeyOCLKXARHTYEYFG-UHFFFAOYSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.10
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,1,1,4,4,5,5,6-octafluorohexane-2,3-dione
CID 54418635
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononaneperoxoate
CID 15687701
(11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoyl) 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecaneperoxoate
CID 22166240
azane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid
CID 173106088
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
2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate
CID 175336561
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate
CID 174409170
1,1,1,2,4,5,5,5-octafluoro-2-(1,1,2,2,3,3,4-heptafluorobutoxy)-4-(trifluoromethyl)pentan-3-one
CID 88903032
1,1,2,2,3-pentafluoropropyl 2-fluoroprop-2-enoate
CID 19741880
(2-chloro-2-fluoropropanoyl) 2-chloro-2-fluoropropaneperoxoate
CID 19690456
(12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate
CID 23112152

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate?
The IUPAC name of 2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate (CID 87611035) is 2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate.
What is the SMILES notation for 2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate?
The canonical SMILES for 2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate is O=C(OOC(=O)C(F)(F)C(F)(F)CF)C(F)(F)C(F)(F)CF.
What is the InChIKey of 2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate?
The InChIKey is OCLKXARHTYEYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F10O4/c9-1-5(11,12)7(15,16)3(19)21-22-4(20)8(17,18)6(13,14)2-10/h1-2H2.
What are the key properties of 2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate?
2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate has a molecular weight of 354.10 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate is sourced from PubChem (CID 87611035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).