1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one

C6ClF11O — CID 15916238

IUPAC1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one
SMILESO=C(C(F)(F)Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6ClF11O/c7-3(10,11)1(19)2(8,9)4(12,13)5(14,15)6(16,17)18
InChIKeyNVNUWRJQLBIQAX-UHFFFAOYSA-N
MW332.50 g/mol
LogP3.86
Rot. Bonds4

About 1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one

1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one (PubChem CID 15916238) has the molecular formula C6ClF11O and a molecular weight of 332.50 g/mol. Its IUPAC name is 1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one.

Molecular Properties

Compound Name1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one
PubChem CID15916238
Molecular FormulaC6ClF11O
Molecular Weight332.50 g/mol
Exact Mass331.95
IUPAC Name1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one
SMILESO=C(C(F)(F)Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6ClF11O/c7-3(10,11)1(19)2(8,9)4(12,13)5(14,15)6(16,17)18
InChIKeyNVNUWRJQLBIQAX-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one?
The IUPAC name of 1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one (CID 15916238) is 1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one.
What is the SMILES notation for 1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one?
The canonical SMILES for 1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one is O=C(C(F)(F)Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one?
The InChIKey is NVNUWRJQLBIQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6ClF11O/c7-3(10,11)1(19)2(8,9)4(12,13)5(14,15)6(16,17)18.
What are the key properties of 1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one?
1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one has a molecular weight of 332.50 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1,3,3,4,4,5,5,6,6,6-undecafluorohexan-2-one is sourced from PubChem (CID 15916238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).