ethoxy(trifluoromethyl)phosphinous acid

C3H6F3O2P — CID 171931307

IUPACethoxy(trifluoromethyl)phosphinous acid
SMILESCCOP(O)C(F)(F)F
InChIInChI=1S/C3H6F3O2P/c1-2-8-9(7)3(4,5)6/h7H,2H2,1H3
InChIKeyVKKUWMBDUHCOSK-UHFFFAOYSA-N
MW162.05 g/mol
LogP1.85
Rot. Bonds2

About ethoxy(trifluoromethyl)phosphinous acid

ethoxy(trifluoromethyl)phosphinous acid (PubChem CID 171931307) has the molecular formula C3H6F3O2P and a molecular weight of 162.05 g/mol. Its IUPAC name is ethoxy(trifluoromethyl)phosphinous acid.

Molecular Properties

Compound Nameethoxy(trifluoromethyl)phosphinous acid
PubChem CID171931307
Molecular FormulaC3H6F3O2P
Molecular Weight162.05 g/mol
Exact Mass162.01
IUPAC Nameethoxy(trifluoromethyl)phosphinous acid
SMILESCCOP(O)C(F)(F)F
InChIInChI=1S/C3H6F3O2P/c1-2-8-9(7)3(4,5)6/h7H,2H2,1H3
InChIKeyVKKUWMBDUHCOSK-UHFFFAOYSA-N
XLogP1.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.05
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl hydrogen phosphite
CID 12977
ethyl dihydrogen phosphite;dihydrochloride
CID 88746637
phosphorous acid;triethyl phosphite
CID 174300225
diethyl hydrogen phosphite;mercury
CID 54602640
ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate
CID 100924702
azane;ethyl methyl hydrogen phosphite
CID 173447260
ethyl dihydrogen phosphite;bis(N-ethylethanamine)
CID 172732787
bromoethene;diethyl hydrogen phosphite
CID 88780762
acetic acid;diethyl hydrogen phosphite;mercury
CID 21535
diethoxymethyl(ethoxy)phosphinous acid
CID 16656278
ethyl N-[bis(ethoxycarbonyl)amino]-N-(trifluoromethyl)carbamate
CID 174359195
diethoxy(methyl)phosphane;phosphane
CID 174821155

Frequently Asked Questions

What is the IUPAC name of ethoxy(trifluoromethyl)phosphinous acid?
The IUPAC name of ethoxy(trifluoromethyl)phosphinous acid (CID 171931307) is ethoxy(trifluoromethyl)phosphinous acid.
What is the SMILES notation for ethoxy(trifluoromethyl)phosphinous acid?
The canonical SMILES for ethoxy(trifluoromethyl)phosphinous acid is CCOP(O)C(F)(F)F.
What is the InChIKey of ethoxy(trifluoromethyl)phosphinous acid?
The InChIKey is VKKUWMBDUHCOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3O2P/c1-2-8-9(7)3(4,5)6/h7H,2H2,1H3.
What are the key properties of ethoxy(trifluoromethyl)phosphinous acid?
ethoxy(trifluoromethyl)phosphinous acid has a molecular weight of 162.05 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(trifluoromethyl)phosphinous acid is sourced from PubChem (CID 171931307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).