ethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid

C6H10F3O2P — CID 87155591

IUPACethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid
SMILESC=CP(=O)(O)C(C)CC(F)(F)F
InChIInChI=1S/C6H10F3O2P/c1-3-12(10,11)5(2)4-6(7,8)9/h3,5H,1,4H2,2H3,(H,10,11)
InChIKeyMGPYMPCAPRRXNE-UHFFFAOYSA-N
MW202.11 g/mol
LogP2.74
Rot. Bonds3

About ethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid

ethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid (PubChem CID 87155591) has the molecular formula C6H10F3O2P and a molecular weight of 202.11 g/mol. Its IUPAC name is ethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid.

Molecular Properties

Compound Nameethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid
PubChem CID87155591
Molecular FormulaC6H10F3O2P
Molecular Weight202.11 g/mol
Exact Mass202.04
IUPAC Nameethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid
SMILESC=CP(=O)(O)C(C)CC(F)(F)F
InChIInChI=1S/C6H10F3O2P/c1-3-12(10,11)5(2)4-6(7,8)9/h3,5H,1,4H2,2H3,(H,10,11)
InChIKeyMGPYMPCAPRRXNE-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

1,1,1,5,5,5-hexafluoropentan-3-ylphosphonic acid
CID 22270252
(3,3,4,6,6,6-hexafluoro-2-methylhexan-2-yl)phosphonic acid
CID 150136088
(3S)-1,1,1-trifluoro-3-iodobutane
CID 95036326
1,1,1,5,5,5-hexafluoropentan-3-yl dihydrogen phosphate
CID 87107506
methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid
CID 154509976
4,4,4-trifluoro-2-phosphonobutanoic acid
CID 90279964
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
(3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane
CID 146228126
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
hydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium
CID 87155593
(4-ethyl-6,6,6-trifluorohexyl)phosphonic acid
CID 135236404
ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
CID 87623347

Frequently Asked Questions

What is the IUPAC name of ethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid?
The IUPAC name of ethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid (CID 87155591) is ethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid.
What is the SMILES notation for ethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid?
The canonical SMILES for ethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid is C=CP(=O)(O)C(C)CC(F)(F)F.
What is the InChIKey of ethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid?
The InChIKey is MGPYMPCAPRRXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3O2P/c1-3-12(10,11)5(2)4-6(7,8)9/h3,5H,1,4H2,2H3,(H,10,11).
What are the key properties of ethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid?
ethenyl(4,4,4-trifluorobutan-2-yl)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 ethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid is sourced from PubChem (CID 87155591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).