1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane

C8H16F3O3P — CID 91477221

IUPAC1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane
SMILESCCCOP(=O)(CC(F)(F)F)OCCC
InChIInChI=1S/C8H16F3O3P/c1-3-5-13-15(12,14-6-4-2)7-8(9,10)11/h3-7H2,1-2H3
InChIKeyQAXSBDXDANGVFB-UHFFFAOYSA-N
MW248.18 g/mol
LogP3.60
Rot. Bonds7

About 1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane

1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane (PubChem CID 91477221) has the molecular formula C8H16F3O3P and a molecular weight of 248.18 g/mol. Its IUPAC name is 1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane
PubChem CID91477221
Molecular FormulaC8H16F3O3P
Molecular Weight248.18 g/mol
Exact Mass248.08
IUPAC Name1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane
SMILESCCCOP(=O)(CC(F)(F)F)OCCC
InChIInChI=1S/C8H16F3O3P/c1-3-5-13-15(12,14-6-4-2)7-8(9,10)11/h3-7H2,1-2H3
InChIKeyQAXSBDXDANGVFB-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Dipropyl propylphosphonate
CID 580563
Diethyl butylphosphonate
CID 2773687
Diethyl (3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphonate
CID 85888424
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Bis(2-methylpropyl) (trifluoromethyl)phosphonate
CID 13141507
Tetraethyl Difluoromethylenebisphosphonate
CID 11823499
Diethyl (2,2-difluoroethyl)phosphonate
CID 21731055
1-[Butoxy(trifluoromethyl)phosphoryl]oxybutane
CID 15750796
Bis-trifluoromethyl Ethylphosphonate
CID 4574247
1-Diethoxyphosphoryl-1,1-difluoroethane
CID 13736768
Diethyl [2-(2,2,3,3-tetrafluoropropoxy)ethyl]phosphonate
CID 88949671

Frequently Asked Questions

What is the IUPAC name of 1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane?
The IUPAC name of 1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane (CID 91477221) is 1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane.
What is the SMILES notation for 1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane?
The canonical SMILES for 1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane is CCCOP(=O)(CC(F)(F)F)OCCC.
What is the InChIKey of 1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane?
The InChIKey is QAXSBDXDANGVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3O3P/c1-3-5-13-15(12,14-6-4-2)7-8(9,10)11/h3-7H2,1-2H3.
What are the key properties of 1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane?
1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane has a molecular weight of 248.18 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propoxy(2,2,2-trifluoroethyl)phosphoryl]oxypropane is sourced from PubChem (CID 91477221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).