1-dipropoxyphosphoryl-2,2,2-trifluoroethanone

C8H14F3O4P — CID 13179230

IUPAC1-dipropoxyphosphoryl-2,2,2-trifluoroethanone
SMILESCCCOP(=O)(OCCC)C(=O)C(F)(F)F
InChIInChI=1S/C8H14F3O4P/c1-3-5-14-16(13,15-6-4-2)7(12)8(9,10)11/h3-6H2,1-2H3
InChIKeyPXIWIIYRTPLGSY-UHFFFAOYSA-N
MW262.16 g/mol
LogP3.12
Rot. Bonds7

About 1-dipropoxyphosphoryl-2,2,2-trifluoroethanone

1-dipropoxyphosphoryl-2,2,2-trifluoroethanone (PubChem CID 13179230) has the molecular formula C8H14F3O4P and a molecular weight of 262.16 g/mol. Its IUPAC name is 1-dipropoxyphosphoryl-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-dipropoxyphosphoryl-2,2,2-trifluoroethanone
PubChem CID13179230
Molecular FormulaC8H14F3O4P
Molecular Weight262.16 g/mol
Exact Mass262.06
IUPAC Name1-dipropoxyphosphoryl-2,2,2-trifluoroethanone
SMILESCCCOP(=O)(OCCC)C(=O)C(F)(F)F
InChIInChI=1S/C8H14F3O4P/c1-3-5-14-16(13,15-6-4-2)7(12)8(9,10)11/h3-6H2,1-2H3
InChIKeyPXIWIIYRTPLGSY-UHFFFAOYSA-N
XLogP3.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl (3,3,3-trifluoro-2-oxopropyl)phosphonate
CID 10988630
1-Dibutoxyphosphoryl-1,1-difluoropropan-2-one
CID 12954312
1-Diethoxyphosphoryl-1,1-difluoropropane
CID 10013537
1-Diethoxyphosphoryl-2,2,2-trifluoroethanone
CID 13179229
1-Dibutoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one
CID 12954317
1-[Propoxy(trifluoromethyl)phosphoryl]oxypropane
CID 102450606
3-Di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one
CID 134894233
4-Diethoxyphosphoryl-1,1,1-trifluorobut-3-yn-2-one
CID 164668429
Diethyl (nonafluorobutyl)phosphonate
CID 12731015
Dimethoxyphosphorylmethyl bis(2,2,3,3-tetrafluoropropyl) phosphite
CID 13115960
Ethyl propyl (trifluoromethyl)phosphonate
CID 13207015
(1,1-Difluoro-2-oxopropyl)phosphonic acid diethyl ester
CID 10922308

Frequently Asked Questions

What is the IUPAC name of 1-dipropoxyphosphoryl-2,2,2-trifluoroethanone?
The IUPAC name of 1-dipropoxyphosphoryl-2,2,2-trifluoroethanone (CID 13179230) is 1-dipropoxyphosphoryl-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-dipropoxyphosphoryl-2,2,2-trifluoroethanone?
The canonical SMILES for 1-dipropoxyphosphoryl-2,2,2-trifluoroethanone is CCCOP(=O)(OCCC)C(=O)C(F)(F)F.
What is the InChIKey of 1-dipropoxyphosphoryl-2,2,2-trifluoroethanone?
The InChIKey is PXIWIIYRTPLGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3O4P/c1-3-5-14-16(13,15-6-4-2)7(12)8(9,10)11/h3-6H2,1-2H3.
What are the key properties of 1-dipropoxyphosphoryl-2,2,2-trifluoroethanone?
1-dipropoxyphosphoryl-2,2,2-trifluoroethanone has a molecular weight of 262.16 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dipropoxyphosphoryl-2,2,2-trifluoroethanone is sourced from PubChem (CID 13179230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).