butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid

C8H14F3O3P — CID 87624465

IUPACbutyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
SMILESC=CC(OP(=O)(O)CCCC)C(F)(F)F
InChIInChI=1S/C8H14F3O3P/c1-3-5-6-15(12,13)14-7(4-2)8(9,10)11/h4,7H,2-3,5-6H2,1H3,(H,12,13)
InChIKeyIPNWUNCHEORXKG-UHFFFAOYSA-N
MW246.16 g/mol
LogP3.11
Rot. Bonds6

About butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid

butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid (PubChem CID 87624465) has the molecular formula C8H14F3O3P and a molecular weight of 246.16 g/mol. Its IUPAC name is butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid.

Molecular Properties

Compound Namebutyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
PubChem CID87624465
Molecular FormulaC8H14F3O3P
Molecular Weight246.16 g/mol
Exact Mass246.06
IUPAC Namebutyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
SMILESC=CC(OP(=O)(O)CCCC)C(F)(F)F
InChIInChI=1S/C8H14F3O3P/c1-3-5-6-15(12,13)14-7(4-2)8(9,10)11/h4,7H,2-3,5-6H2,1H3,(H,12,13)
InChIKeyIPNWUNCHEORXKG-UHFFFAOYSA-N
XLogP3.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethyl(1,1-difluoro-3-butenyl)phosphonate
CID 10353710
Dipropan-2-yl (1-fluorobut-3-en-1-yl)phosphonate
CID 13133774
3-[Prop-2-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
CID 87155765
3-[Methoxy(2,2,2-trifluoroethyl)phosphoryl]oxyprop-1-ene
CID 87156060
Ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
CID 87623347
3-[Ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphoryl]oxy-4,4,4-trifluorobut-1-ene
CID 87623348
Ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
CID 87623808
4-[Ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxy-5,5,5-trifluoropent-1-ene
CID 87623809
3-[Butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphoryl]oxy-4,4,4-trifluorobut-1-ene
CID 87624466
Butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
CID 87624873
4-[Butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxy-5,5,5-trifluoropent-1-ene
CID 87624874
Cyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
CID 87624943

Frequently Asked Questions

What is the IUPAC name of butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid?
The IUPAC name of butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid (CID 87624465) is butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid.
What is the SMILES notation for butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid?
The canonical SMILES for butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid is C=CC(OP(=O)(O)CCCC)C(F)(F)F.
What is the InChIKey of butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid?
The InChIKey is IPNWUNCHEORXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3O3P/c1-3-5-6-15(12,13)14-7(4-2)8(9,10)11/h4,7H,2-3,5-6H2,1H3,(H,12,13).
What are the key properties of butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid?
butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid has a molecular weight of 246.16 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid is sourced from PubChem (CID 87624465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).