methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid

C5H8F3O2P — CID 154509976

IUPACmethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid
SMILESCP(=O)(O)C=CCC(F)(F)F
InChIInChI=1S/C5H8F3O2P/c1-11(9,10)4-2-3-5(6,7)8/h2,4H,3H2,1H3,(H,9,10)
InChIKeyQKFSTDPTBJAXEI-UHFFFAOYSA-N
MW188.08 g/mol
LogP2.35
Rot. Bonds2

About methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid

methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid (PubChem CID 154509976) has the molecular formula C5H8F3O2P and a molecular weight of 188.08 g/mol. Its IUPAC name is methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid.

Molecular Properties

Compound Namemethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid
PubChem CID154509976
Molecular FormulaC5H8F3O2P
Molecular Weight188.08 g/mol
Exact Mass188.02
IUPAC Namemethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid
SMILESCP(=O)(O)C=CCC(F)(F)F
InChIInChI=1S/C5H8F3O2P/c1-11(9,10)4-2-3-5(6,7)8/h2,4H,3H2,1H3,(H,9,10)
InChIKeyQKFSTDPTBJAXEI-UHFFFAOYSA-N
XLogP2.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.08
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid
CID 154509979
methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid
CID 154509943
but-1-enyl(methyl)phosphinic acid
CID 123464058
(E)-5,5,5-trifluoropent-2-enoic acid
CID 55296417
(Z)-8,8,8-trifluoro-2,2-dimethyl-4-methylideneoct-5-en-3-one
CID 162510008
[(E)-4,4,4-trifluorobut-1-enyl] acetate
CID 87908862
methyl 2-methylprop-2-enoate;5,5,5-trifluoropent-2-enoic acid
CID 87690225
7,7,7-trifluoro-3-methylhepta-2,4-diene
CID 123499921
5,5,5-trifluoropent-2-enamide
CID 154272221
(3Z,5Z)-8,8,8-trifluoro-3-methylocta-1,3,5-triene
CID 142246512
ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene
CID 142112959
methylphosphonic acid;bis(4,4,4-trifluorobutan-1-amine)
CID 171929841

Frequently Asked Questions

What is the IUPAC name of methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid?
The IUPAC name of methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid (CID 154509976) is methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid.
What is the SMILES notation for methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid?
The canonical SMILES for methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid is CP(=O)(O)C=CCC(F)(F)F.
What is the InChIKey of methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid?
The InChIKey is QKFSTDPTBJAXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3O2P/c1-11(9,10)4-2-3-5(6,7)8/h2,4H,3H2,1H3,(H,9,10).
What are the key properties of methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid?
methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid has a molecular weight of 188.08 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid is sourced from PubChem (CID 154509976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).