4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide

C11H17F6O4P — CID 154509022

IUPAC4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide
SMILESCC(C)C1(F)OP(=O)(O)OCCCCC(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H17F6O4P/c1-7(2)10(15)11(16,17)9(13,14)8(12)5-3-4-6-20-22(18,19)21-10/h7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyUXSLOWZEGACDQZ-UHFFFAOYSA-N
MW358.22 g/mol
LogP4.23
Rot. Bonds1

About 4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide

4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide (PubChem CID 154509022) has the molecular formula C11H17F6O4P and a molecular weight of 358.22 g/mol. Its IUPAC name is 4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide.

Molecular Properties

Compound Name4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide
PubChem CID154509022
Molecular FormulaC11H17F6O4P
Molecular Weight358.22 g/mol
Exact Mass358.08
IUPAC Name4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide
SMILESCC(C)C1(F)OP(=O)(O)OCCCCC(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H17F6O4P/c1-7(2)10(15)11(16,17)9(13,14)8(12)5-3-4-6-20-22(18,19)21-10/h7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyUXSLOWZEGACDQZ-UHFFFAOYSA-N
XLogP4.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide with MolForge

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Related Compounds

2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
CID 154259848
4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxy-1,3,2λ5-dioxaphosphocane 2-oxide
CID 87919172
2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide
CID 142743133
4,4,5,5,6,7-hexafluoro-2-hydroxy-7-propan-2-yl-1,3,2λ5-dioxaphosphepane 2-oxide
CID 87919069
2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528587
methyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate
CID 142738614
4,4,5,5-tetrakis(1-chloropropan-2-yl)-2-hydroxy-1,3,6,2λ5-trioxaphosphocane 2-oxide
CID 87150031
5-hexyl-2-hydroxy-2-oxo-1,3-dioxa-2λ5-phosphacyclononadecan-6-ol
CID 142683694
4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528626
2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione
CID 142743075
CID 173204906
CID 173204906
2-methyl-1,3,2lambda5-dioxaphosphocane 2-oxide
CID 12579739

Frequently Asked Questions

What is the IUPAC name of 4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide?
The IUPAC name of 4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide (CID 154509022) is 4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide.
What is the SMILES notation for 4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide?
The canonical SMILES for 4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide is CC(C)C1(F)OP(=O)(O)OCCCCC(F)C(F)(F)C1(F)F.
What is the InChIKey of 4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide?
The InChIKey is UXSLOWZEGACDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6O4P/c1-7(2)10(15)11(16,17)9(13,14)8(12)5-3-4-6-20-22(18,19)21-10/h7-8H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide?
4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide has a molecular weight of 358.22 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,6,6,7-hexafluoro-2-hydroxy-4-propan-2-yl-1,3-dioxa-2λ5-phosphacycloundecane 2-oxide is sourced from PubChem (CID 154509022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).