1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane

C7H7F6O3P — CID 57398511

IUPAC1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane
SMILESC#CCOP(C)(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F6O3P/c1-3-4-15-17(2,14)16-5(6(8,9)10)7(11,12)13/h1,5H,4H2,2H3
InChIKeyXOWVPELMLPDDSD-UHFFFAOYSA-N
MW284.09 g/mol
LogP2.97
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane

1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane (PubChem CID 57398511) has the molecular formula C7H7F6O3P and a molecular weight of 284.09 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane
PubChem CID57398511
Molecular FormulaC7H7F6O3P
Molecular Weight284.09 g/mol
Exact Mass284.00
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane
SMILESC#CCOP(C)(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F6O3P/c1-3-4-15-17(2,14)16-5(6(8,9)10)7(11,12)13/h1,5H,4H2,2H3
InChIKeyXOWVPELMLPDDSD-UHFFFAOYSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(methyl)phosphoryl]oxypropane
CID 13700715
Diisopropyl-3,3,3-trifluoroprop-1-ynylphosphonate
CID 86173521
1-Di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne
CID 134922874
Ethyl 1,1,1,3,3,3-hexafluoropropan-2-yl methylphosphonate
CID 383647
3-Diethoxyphosphoryl-3,3-difluoroprop-1-yne
CID 10488710
Methyl(1,1,1,3,3,4,4,4-octafluorobutan-2-yloxy)phosphinic acid
CID 87127863
1,1,1,4,4,4-Hexafluorobutan-2-yloxy(methyl)phosphinic acid
CID 87544825
1,1,1,3,3,3-Hexafluoropropan-2-yloxy-methyl-oxophosphanium
CID 88353747
4-Ethynyl-2-methyl-5-(trifluoromethyl)-1,3,2lambda5-dioxaphospholane 2-oxide
CID 89441946
4-(Difluoromethyl)-5-ethynyl-2-methyl-1,3,2lambda5-dioxaphospholane 2-oxide
CID 89703545
1,1,1,3,3,3-Hexafluoro-2-[methyl(1,1,1,3-tetrafluoropropan-2-yloxy)phosphoryl]oxypropane
CID 89932572
1,1,1,3,3,3-Hexafluoropropan-2-yloxy-oxo-prop-2-ynoxyphosphanium
CID 121443362

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane (CID 57398511) is 1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane is C#CCOP(C)(=O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane?
The InChIKey is XOWVPELMLPDDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6O3P/c1-3-4-15-17(2,14)16-5(6(8,9)10)7(11,12)13/h1,5H,4H2,2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane?
1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane has a molecular weight of 284.09 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[methyl(prop-2-ynoxy)phosphoryl]oxypropane is sourced from PubChem (CID 57398511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).