3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane

C5H8F5O3P — CID 172877504

IUPAC3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane
SMILESCOP(=O)(CC(F)(F)C(F)(F)F)OC
InChIInChI=1S/C5H8F5O3P/c1-12-14(11,13-2)3-4(6,7)5(8,9)10/h3H2,1-2H3
InChIKeyFGFOFAIAAAKQJE-UHFFFAOYSA-N
MW242.08 g/mol
LogP2.67
Rot. Bonds4

About 3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane

3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane (PubChem CID 172877504) has the molecular formula C5H8F5O3P and a molecular weight of 242.08 g/mol. Its IUPAC name is 3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane.

Molecular Properties

Compound Name3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane
PubChem CID172877504
Molecular FormulaC5H8F5O3P
Molecular Weight242.08 g/mol
Exact Mass242.01
IUPAC Name3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane
SMILESCOP(=O)(CC(F)(F)C(F)(F)F)OC
InChIInChI=1S/C5H8F5O3P/c1-12-14(11,13-2)3-4(6,7)5(8,9)10/h3H2,1-2H3
InChIKeyFGFOFAIAAAKQJE-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl (2,2-difluoroethyl)phosphonate
CID 21731055
Dimethyl (2,2-difluoroethyl)phosphonate
CID 71387577
Bis-trifluoromethyl Ethylphosphonate
CID 4574247
1-Diethoxyphosphoryl-1,1-difluoropropane
CID 10013537
Dimethyl (2,2,2-trifluoroethyl)phosphonate
CID 13115970
1-[Propoxy(trifluoromethyl)phosphoryl]oxypropane
CID 102450606
Bis(trifluoro methyl)pentylphosphonate
CID 129815892
3-Diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane
CID 172877543
o-Propyl ethyl(2,2,2-trifluoroethyl)phosphinate
CID 6420432
o-Propyl ethyl(heptafluoropropyl)phosphinate
CID 6421628
o-Ethyl ethyl(heptafluoropropyl)phosphinate
CID 6421632
1-Diethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 10444192

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane?
The IUPAC name of 3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane (CID 172877504) is 3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane.
What is the SMILES notation for 3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane?
The canonical SMILES for 3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane is COP(=O)(CC(F)(F)C(F)(F)F)OC.
What is the InChIKey of 3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane?
The InChIKey is FGFOFAIAAAKQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5O3P/c1-12-14(11,13-2)3-4(6,7)5(8,9)10/h3H2,1-2H3.
What are the key properties of 3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane?
3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane has a molecular weight of 242.08 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxyphosphoryl-1,1,1,2,2-pentafluoropropane is sourced from PubChem (CID 172877504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).