4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide

C6H6F7O4P — CID 87919088

IUPAC4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide
SMILESO=P1(O)OCC(C(F)(F)C(F)(F)C(F)(F)CF)O1
InChIInChI=1S/C6H6F7O4P/c7-2-4(8,9)6(12,13)5(10,11)3-1-16-18(14,15)17-3/h3H,1-2H2,(H,14,15)
InChIKeyWUGNMZRVHXOVCC-UHFFFAOYSA-N
MW306.07 g/mol
LogP2.38
Rot. Bonds4

About 4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide

4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 87919088) has the molecular formula C6H6F7O4P and a molecular weight of 306.07 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID87919088
Molecular FormulaC6H6F7O4P
Molecular Weight306.07 g/mol
Exact Mass305.99
IUPAC Name4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide
SMILESO=P1(O)OCC(C(F)(F)C(F)(F)C(F)(F)CF)O1
InChIInChI=1S/C6H6F7O4P/c7-2-4(8,9)6(12,13)5(10,11)3-1-16-18(14,15)17-3/h3H,1-2H2,(H,14,15)
InChIKeyWUGNMZRVHXOVCC-UHFFFAOYSA-N
XLogP2.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.07
LogP ≤ 52.38
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'}

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Related Compounds

2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)ethanamine
CID 152756492
(6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol
CID 44582844
4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528626
4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxy-1,3,2λ5-dioxaphosphocane 2-oxide
CID 87919172
2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane
CID 139743782
4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one
CID 23263317
2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide
CID 18459455
2-hydroxy-5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-tricosafluorotridecylsulfanyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 101197410
5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosylsulfanyl)-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 101197430
(E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene
CID 87277497
[(4R)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl]methyl octadecanoate
CID 52922108
5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanylmethyl)-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 163324548

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide (CID 87919088) is 4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide is O=P1(O)OCC(C(F)(F)C(F)(F)C(F)(F)CF)O1.
What is the InChIKey of 4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is WUGNMZRVHXOVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F7O4P/c7-2-4(8,9)6(12,13)5(10,11)3-1-16-18(14,15)17-3/h3H,1-2H2,(H,14,15).
What are the key properties of 4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide?
4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 306.07 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,4-heptafluorobutyl)-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 87919088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).