2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene

C5H8F3O2P — CID 175343744

IUPAC2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene
SMILESC=C(OP(C)(C)=O)C(F)(F)F
InChIInChI=1S/C5H8F3O2P/c1-4(5(6,7)8)10-11(2,3)9/h1H2,2-3H3
InChIKeySQFBNIVBNKBJSR-UHFFFAOYSA-N
MW188.08 g/mol
LogP2.62
Rot. Bonds2

About 2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene

2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene (PubChem CID 175343744) has the molecular formula C5H8F3O2P and a molecular weight of 188.08 g/mol. Its IUPAC name is 2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene
PubChem CID175343744
Molecular FormulaC5H8F3O2P
Molecular Weight188.08 g/mol
Exact Mass188.02
IUPAC Name2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene
SMILESC=C(OP(C)(C)=O)C(F)(F)F
InChIInChI=1S/C5H8F3O2P/c1-4(5(6,7)8)10-11(2,3)9/h1H2,2-3H3
InChIKeySQFBNIVBNKBJSR-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.08
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate
CID 101194809
dimethylphosphoryl 2,2,2-trifluoroacetate
CID 154646257
dimethylphosphoryl acetate
CID 87462570
2-dimethylphosphoryloxy-1,1,1-trifluoropropane
CID 87666896
2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene
CID 87322838
1,1,1-trifluorobut-2-en-2-yl dihydrogen phosphate
CID 90860946
3,3-dimethylbut-1-en-2-yl 2,2,2-trifluoroacetate
CID 12871431
methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid
CID 87127892
phosphono 2,2,2-trifluoroacetate
CID 57464439
dimethylphosphoryl 2-methylpropanoate
CID 87754367
ethane;3,3,3-trifluoroprop-1-en-2-ol
CID 142267098
4-methyl-2-(trifluoromethyl)pent-1-en-3-one
CID 90085029

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene (CID 175343744) is 2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene is C=C(OP(C)(C)=O)C(F)(F)F.
What is the InChIKey of 2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene?
The InChIKey is SQFBNIVBNKBJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3O2P/c1-4(5(6,7)8)10-11(2,3)9/h1H2,2-3H3.
What are the key properties of 2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene?
2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene has a molecular weight of 188.08 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 175343744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).