7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one

C10H5F10NO2 — CID 166647290

IUPAC7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one
SMILESC=C1COC2(NC1=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H5F10NO2/c1-3-2-23-10(21-4(3)22)8(17,18)6(13,14)5(11,12)7(15,16)9(10,19)20/h1-2H2,(H,21,22)
InChIKeyRCISXAJNVJRSAO-UHFFFAOYSA-N
MW361.14 g/mol
LogP2.58
Rot. Bonds

About 7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one

7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one (PubChem CID 166647290) has the molecular formula C10H5F10NO2 and a molecular weight of 361.14 g/mol. Its IUPAC name is 7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one
PubChem CID166647290
Molecular FormulaC10H5F10NO2
Molecular Weight361.14 g/mol
Exact Mass361.02
IUPAC Name7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one
SMILESC=C1COC2(NC1=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H5F10NO2/c1-3-2-23-10(21-4(3)22)8(17,18)6(13,14)5(11,12)7(15,16)9(10,19)20/h1-2H2,(H,21,22)
InChIKeyRCISXAJNVJRSAO-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.14
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one?
The IUPAC name of 7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one (CID 166647290) is 7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one.
What is the SMILES notation for 7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one?
The canonical SMILES for 7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one is C=C1COC2(NC1=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F.
What is the InChIKey of 7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one?
The InChIKey is RCISXAJNVJRSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F10NO2/c1-3-2-23-10(21-4(3)22)8(17,18)6(13,14)5(11,12)7(15,16)9(10,19)20/h1-2H2,(H,21,22).
What are the key properties of 7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one?
7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one has a molecular weight of 361.14 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one is sourced from PubChem (CID 166647290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).