1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide

C5HF10OP — CID 87925353

IUPAC1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide
SMILESO=P1(F)C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5HF10OP/c6-1-2(7,8)3(9,10)4(11,12)5(13,14)17(1,15)16/h1H
InChIKeyQNKLMYDBSUBMDC-UHFFFAOYSA-N
MW298.02 g/mol
LogP4.04
Rot. Bonds

About 1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide

1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide (PubChem CID 87925353) has the molecular formula C5HF10OP and a molecular weight of 298.02 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide
PubChem CID87925353
Molecular FormulaC5HF10OP
Molecular Weight298.02 g/mol
Exact Mass297.96
IUPAC Name1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide
SMILESO=P1(F)C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5HF10OP/c6-1-2(7,8)3(9,10)4(11,12)5(13,14)17(1,15)16/h1H
InChIKeyQNKLMYDBSUBMDC-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.02
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(4R)-1,1,2,2,3,3,4,5-octafluorocyclopentane
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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene
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1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
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1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane
CID 154317052
1,1,2,2,3,4,5,6-octafluorocyclohexane
CID 22495201
1,2,2,3,3,4-hexafluorocyclobutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide (CID 87925353) is 1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide is O=P1(F)C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide?
The InChIKey is QNKLMYDBSUBMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF10OP/c6-1-2(7,8)3(9,10)4(11,12)5(13,14)17(1,15)16/h1H.
What are the key properties of 1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide?
1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide has a molecular weight of 298.02 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6-decafluoro-1λ5-phosphinane 1-oxide is sourced from PubChem (CID 87925353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).