ethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

C12H20F6NO5P — CID 15001729

IUPACethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
SMILESCCCOP(=O)(OCCC)C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6NO5P/c1-4-7-23-25(21,24-8-5-2)10(11(13,14)15,12(16,17)18)19-9(20)22-6-3/h4-8H2,1-3H3,(H,19,20)
InChIKeyBVIPOJFIWRLOCH-UHFFFAOYSA-N
MW403.26 g/mol
LogP4.60
Rot. Bonds9

About ethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

ethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (PubChem CID 15001729) has the molecular formula C12H20F6NO5P and a molecular weight of 403.26 g/mol. Its IUPAC name is ethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
PubChem CID15001729
Molecular FormulaC12H20F6NO5P
Molecular Weight403.26 g/mol
Exact Mass403.10
IUPAC Nameethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
SMILESCCCOP(=O)(OCCC)C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6NO5P/c1-4-7-23-25(21,24-8-5-2)10(11(13,14)15,12(16,17)18)19-9(20)22-6-3/h4-8H2,1-3H3,(H,19,20)
InChIKeyBVIPOJFIWRLOCH-UHFFFAOYSA-N
XLogP4.60
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The IUPAC name of ethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (CID 15001729) is ethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The canonical SMILES for ethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is CCCOP(=O)(OCCC)C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The InChIKey is BVIPOJFIWRLOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6NO5P/c1-4-7-23-25(21,24-8-5-2)10(11(13,14)15,12(16,17)18)19-9(20)22-6-3/h4-8H2,1-3H3,(H,19,20).
What are the key properties of ethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
ethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate has a molecular weight of 403.26 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-dipropoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is sourced from PubChem (CID 15001729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).