3-methylbutoxy(trifluoromethyl)phosphinic acid

C6H12F3O3P — CID 154237685

IUPAC3-methylbutoxy(trifluoromethyl)phosphinic acid
SMILESCC(C)CCOP(=O)(O)C(F)(F)F
InChIInChI=1S/C6H12F3O3P/c1-5(2)3-4-12-13(10,11)6(7,8)9/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyBSHBRPMBRGSGGW-UHFFFAOYSA-N
MW220.13 g/mol
LogP2.75
Rot. Bonds4

About 3-methylbutoxy(trifluoromethyl)phosphinic acid

3-methylbutoxy(trifluoromethyl)phosphinic acid (PubChem CID 154237685) has the molecular formula C6H12F3O3P and a molecular weight of 220.13 g/mol. Its IUPAC name is 3-methylbutoxy(trifluoromethyl)phosphinic acid.

Molecular Properties

Compound Name3-methylbutoxy(trifluoromethyl)phosphinic acid
PubChem CID154237685
Molecular FormulaC6H12F3O3P
Molecular Weight220.13 g/mol
Exact Mass220.05
IUPAC Name3-methylbutoxy(trifluoromethyl)phosphinic acid
SMILESCC(C)CCOP(=O)(O)C(F)(F)F
InChIInChI=1S/C6H12F3O3P/c1-5(2)3-4-12-13(10,11)6(7,8)9/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyBSHBRPMBRGSGGW-UHFFFAOYSA-N
XLogP2.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 52.75
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

azanium 3-methylbutyl dihydrogen phosphate
CID 21149534
[dichloro-[hydroxy-[(7S)-3,7,11-trimethyldodecoxy]phosphoryl]methyl]phosphonic acid
CID 138393309
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
1-[ethyl(3-methylbutoxy)phosphoryl]oxy-3-methylbutane
CID 170851032
methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium
CID 158242345
3-methylbutyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 2748426
bis(20-methylhenicosyl) hydrogen phosphate
CID 141458391
bis(12-methyltridecyl) hydrogen phosphate
CID 141458390
bis(10-methylundecyl) hydrogen phosphate;ethane-1,1,1,2,2,2-hexol
CID 175031846
3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine
CID 148613615
trimethyl-[methyl(3-methylbutoxy)phosphoryl]oxysilane
CID 91752262
1-[bis(3-methylbutoxy)phosphoryl]-N-[6-[bis(3-methylbutoxy)phosphorylcarbonylamino]hexyl]formamide
CID 131877973

Frequently Asked Questions

What is the IUPAC name of 3-methylbutoxy(trifluoromethyl)phosphinic acid?
The IUPAC name of 3-methylbutoxy(trifluoromethyl)phosphinic acid (CID 154237685) is 3-methylbutoxy(trifluoromethyl)phosphinic acid.
What is the SMILES notation for 3-methylbutoxy(trifluoromethyl)phosphinic acid?
The canonical SMILES for 3-methylbutoxy(trifluoromethyl)phosphinic acid is CC(C)CCOP(=O)(O)C(F)(F)F.
What is the InChIKey of 3-methylbutoxy(trifluoromethyl)phosphinic acid?
The InChIKey is BSHBRPMBRGSGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3O3P/c1-5(2)3-4-12-13(10,11)6(7,8)9/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 3-methylbutoxy(trifluoromethyl)phosphinic acid?
3-methylbutoxy(trifluoromethyl)phosphinic acid has a molecular weight of 220.13 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutoxy(trifluoromethyl)phosphinic acid is sourced from PubChem (CID 154237685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).