4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide

C6H8F5O4P — CID 87919190

IUPAC4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCCCC1(F)OP(=O)(O)OC1(F)C(F)(F)F
InChIInChI=1S/C6H8F5O4P/c1-2-3-4(7)5(8,6(9,10)11)15-16(12,13)14-4/h2-3H2,1H3,(H,12,13)
InChIKeyVDFSSPMTAWIXOS-UHFFFAOYSA-N
MW270.09 g/mol
LogP2.83
Rot. Bonds2

About 4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide

4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 87919190) has the molecular formula C6H8F5O4P and a molecular weight of 270.09 g/mol. Its IUPAC name is 4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID87919190
Molecular FormulaC6H8F5O4P
Molecular Weight270.09 g/mol
Exact Mass270.01
IUPAC Name4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCCCC1(F)OP(=O)(O)OC1(F)C(F)(F)F
InChIInChI=1S/C6H8F5O4P/c1-2-3-4(7)5(8,6(9,10)11)15-16(12,13)14-4/h2-3H2,1H3,(H,12,13)
InChIKeyVDFSSPMTAWIXOS-UHFFFAOYSA-N
XLogP2.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 174909301
2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 170016088
hexadecyl(trimethyl)azanium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;bromide
CID 175179340
methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 174239066
sulfuric acid;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 87965023
2-hexoxy-4,6-dihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 141080121
4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid
CID 86017593
ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide
CID 164556022
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
2-hydroxy-4-[12-[(2-methylpropan-2-yl)oxy]dodecyl]-5-octyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 46831450
2-fluoro-2-hexyloxirane
CID 21452195
5-butyl-5-(trifluoromethyl)furan-2-one
CID 72697428

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide (CID 87919190) is 4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide is CCCC1(F)OP(=O)(O)OC1(F)C(F)(F)F.
What is the InChIKey of 4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is VDFSSPMTAWIXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5O4P/c1-2-3-4(7)5(8,6(9,10)11)15-16(12,13)14-4/h2-3H2,1H3,(H,12,13).
What are the key properties of 4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide?
4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 270.09 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 87919190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).