trifluoro-[methoxy(methyl)phosphoryl]methane

C3H6F3O2P — CID 12886123

IUPACtrifluoro-[methoxy(methyl)phosphoryl]methane
SMILESCOP(C)(=O)C(F)(F)F
InChIInChI=1S/C3H6F3O2P/c1-8-9(2,7)3(4,5)6/h1-2H3
InChIKeySQCDZEIJEKWZFO-UHFFFAOYSA-N
MW162.05 g/mol
LogP2.06
Rot. Bonds1

About trifluoro-[methoxy(methyl)phosphoryl]methane

trifluoro-[methoxy(methyl)phosphoryl]methane (PubChem CID 12886123) has the molecular formula C3H6F3O2P and a molecular weight of 162.05 g/mol. Its IUPAC name is trifluoro-[methoxy(methyl)phosphoryl]methane.

Molecular Properties

Compound Nametrifluoro-[methoxy(methyl)phosphoryl]methane
PubChem CID12886123
Molecular FormulaC3H6F3O2P
Molecular Weight162.05 g/mol
Exact Mass162.01
IUPAC Nametrifluoro-[methoxy(methyl)phosphoryl]methane
SMILESCOP(C)(=O)C(F)(F)F
InChIInChI=1S/C3H6F3O2P/c1-8-9(2,7)3(4,5)6/h1-2H3
InChIKeySQCDZEIJEKWZFO-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.05
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl bis(trifluoromethyl) phosphate
CID 87128096
1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane
CID 23268533
methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
[chloro(methyl)phosphoryl]oxymethane
CID 11499216
CID 57459832
CID 57459832
methoxy(1,1,2,2,2-pentafluoroethyl)phosphinic acid
CID 75530351
[methoxy(trifluoromethyl)phosphoryl] sulfite
CID 174581581
ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate
CID 161228168
fluoro(methoxy)phosphinic acid
CID 23235630
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
dimethylphosphinate;methoxy(methyl)phosphinate
CID 161267325
1-dimethoxyphosphorylethene;methanol
CID 174918241

Frequently Asked Questions

What is the IUPAC name of trifluoro-[methoxy(methyl)phosphoryl]methane?
The IUPAC name of trifluoro-[methoxy(methyl)phosphoryl]methane (CID 12886123) is trifluoro-[methoxy(methyl)phosphoryl]methane.
What is the SMILES notation for trifluoro-[methoxy(methyl)phosphoryl]methane?
The canonical SMILES for trifluoro-[methoxy(methyl)phosphoryl]methane is COP(C)(=O)C(F)(F)F.
What is the InChIKey of trifluoro-[methoxy(methyl)phosphoryl]methane?
The InChIKey is SQCDZEIJEKWZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3O2P/c1-8-9(2,7)3(4,5)6/h1-2H3.
What are the key properties of trifluoro-[methoxy(methyl)phosphoryl]methane?
trifluoro-[methoxy(methyl)phosphoryl]methane has a molecular weight of 162.05 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[methoxy(methyl)phosphoryl]methane is sourced from PubChem (CID 12886123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).