2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride

C6F12O — CID 90092935

IUPAC2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F12O/c7-1(19)2(8,9)3(10,5(13,14)15)4(11,12)6(16,17)18
InChIKeyMMNVPRNALFGJAQ-UHFFFAOYSA-N
MW316.04 g/mol
LogP3.59
Rot. Bonds3

About 2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride

2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride (PubChem CID 90092935) has the molecular formula C6F12O and a molecular weight of 316.04 g/mol. Its IUPAC name is 2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride.

Molecular Properties

Compound Name2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride
PubChem CID90092935
Molecular FormulaC6F12O
Molecular Weight316.04 g/mol
Exact Mass315.98
IUPAC Name2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F12O/c7-1(19)2(8,9)3(10,5(13,14)15)4(11,12)6(16,17)18
InChIKeyMMNVPRNALFGJAQ-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.04
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride?
The IUPAC name of 2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride (CID 90092935) is 2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride.
What is the SMILES notation for 2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride?
The canonical SMILES for 2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride is O=C(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride?
The InChIKey is MMNVPRNALFGJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12O/c7-1(19)2(8,9)3(10,5(13,14)15)4(11,12)6(16,17)18.
What are the key properties of 2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride?
2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride has a molecular weight of 316.04 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride is sourced from PubChem (CID 90092935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).