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

C6H10F3O2P — CID 154509979

IUPACethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid
SMILESCCP(=O)(O)C=CCC(F)(F)F
InChIInChI=1S/C6H10F3O2P/c1-2-12(10,11)5-3-4-6(7,8)9/h3,5H,2,4H2,1H3,(H,10,11)
InChIKeySXWDHKXUTQADIA-UHFFFAOYSA-N
MW202.11 g/mol
LogP2.74
Rot. Bonds3

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

ethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid (PubChem CID 154509979) has the molecular formula C6H10F3O2P and a molecular weight of 202.11 g/mol. Its IUPAC name is ethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid.

Molecular Properties

Compound Nameethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid
PubChem CID154509979
Molecular FormulaC6H10F3O2P
Molecular Weight202.11 g/mol
Exact Mass202.04
IUPAC Nameethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid
SMILESCCP(=O)(O)C=CCC(F)(F)F
InChIInChI=1S/C6H10F3O2P/c1-2-12(10,11)5-3-4-6(7,8)9/h3,5H,2,4H2,1H3,(H,10,11)
InChIKeySXWDHKXUTQADIA-UHFFFAOYSA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.11
LogP ≤ 52.74
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

methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid
CID 154509976
methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid
CID 154509943
ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium
CID 87383793
(Z)-4,4,4-trifluorobut-1-en-1-amine
CID 142852189
but-1-enyl(propyl)phosphinic acid
CID 91503829
ethyl (E)-5,5,5-trifluoropent-2-enoate
CID 15104041
(E)-5,5,5-trifluoropent-2-enoic acid
CID 55296417
[(E)-4,4,4-trifluorobut-1-enyl] acetate
CID 87908862
5,5,5-trifluoropent-2-enamide
CID 154272221
7,7,7-trifluoro-3-methylhepta-2,4-diene
CID 123499921
2-diethylphosphoryl-1,1,1-trifluoroethane
CID 87128168
2-[ethyl(2,2,2-trifluoroethyl)phosphoryl]-1,1,1-trifluoroethane
CID 118247609

Frequently Asked Questions

What is the IUPAC name of ethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid?
The IUPAC name of ethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid (CID 154509979) is ethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid.
What is the SMILES notation for ethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid?
The canonical SMILES for ethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid is CCP(=O)(O)C=CCC(F)(F)F.
What is the InChIKey of ethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid?
The InChIKey is SXWDHKXUTQADIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3O2P/c1-2-12(10,11)5-3-4-6(7,8)9/h3,5H,2,4H2,1H3,(H,10,11).
What are the key properties of ethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid?
ethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid has a molecular weight of 202.11 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid is sourced from PubChem (CID 154509979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).