1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one

C10H8F12O2 — CID 15033876

IUPAC1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one
SMILESCC(=O)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H8F12O2/c1-4(23)2-24-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h5H,2-3H2,1H3
InChIKeyXYKNCEGWFFYRNO-UHFFFAOYSA-N
MW388.15 g/mol
LogP4.03
Rot. Bonds9

About 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one

1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one (PubChem CID 15033876) has the molecular formula C10H8F12O2 and a molecular weight of 388.15 g/mol. Its IUPAC name is 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one.

Molecular Properties

Compound Name1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one
PubChem CID15033876
Molecular FormulaC10H8F12O2
Molecular Weight388.15 g/mol
Exact Mass388.03
IUPAC Name1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one
SMILESCC(=O)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H8F12O2/c1-4(23)2-24-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h5H,2-3H2,1H3
InChIKeyXYKNCEGWFFYRNO-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.15
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one?
The IUPAC name of 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one (CID 15033876) is 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one.
What is the SMILES notation for 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one?
The canonical SMILES for 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one is CC(=O)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one?
The InChIKey is XYKNCEGWFFYRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F12O2/c1-4(23)2-24-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h5H,2-3H2,1H3.
What are the key properties of 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one?
1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one has a molecular weight of 388.15 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propan-2-one is sourced from PubChem (CID 15033876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).