(1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid

C8H13F2O3P — CID 76764487

IUPAC(1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(F)(F)C=C=C(C)C
InChIInChI=1S/C8H13F2O3P/c1-4-13-14(11,12)8(9,10)6-5-7(2)3/h6H,4H2,1-3H3,(H,11,12)
InChIKeyYCQPNBPNDCJGNX-UHFFFAOYSA-N
MW226.16 g/mol
LogP2.92
Rot. Bonds4

About (1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid

(1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid (PubChem CID 76764487) has the molecular formula C8H13F2O3P and a molecular weight of 226.16 g/mol. Its IUPAC name is (1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid.

Molecular Properties

Compound Name(1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid
PubChem CID76764487
Molecular FormulaC8H13F2O3P
Molecular Weight226.16 g/mol
Exact Mass226.06
IUPAC Name(1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(F)(F)C=C=C(C)C
InChIInChI=1S/C8H13F2O3P/c1-4-13-14(11,12)8(9,10)6-5-7(2)3/h6H,4H2,1-3H3,(H,11,12)
InChIKeyYCQPNBPNDCJGNX-UHFFFAOYSA-N
XLogP2.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 52.92
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

3-Diethoxyphosphoryl-3,3-difluoroprop-1-ene
CID 15418131
Diethyl perfluoroisobutenylphosphonate
CID 129801668
(E)-1-diethoxyphosphoryl-1,1,4,4,4-pentafluoro-3-methyl-2-(trifluoromethyl)but-2-ene
CID 139264097
2-Diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene
CID 102260717
Diethyl (1,1,2-trifluoro-2-propenyl)phosphonate
CID 53986716
3,3-Difluoroprop-2-enoxy(methyl)phosphinic acid
CID 87155371
1-Diethoxyphosphoryl-1,1-difluoro-4-methylpenta-2,3-diene
CID 101098290
(E)-4-diethoxyphosphoryl-1,1,1-trifluoro-2-methylbut-2-ene
CID 11821329
(1,1-Difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid
CID 11975163
(3-Cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid
CID 11975165
Diethyl (1,1-difluorobuta-2,3-dien-1-yl)phosphonate
CID 14268064
(E)-1-diethoxyphosphoryl-1,1,4,4,4-pentafluoro-2-(trifluoromethyl)but-2-ene
CID 100985718

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid?
The IUPAC name of (1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid (CID 76764487) is (1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid.
What is the SMILES notation for (1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid?
The canonical SMILES for (1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid is CCOP(=O)(O)C(F)(F)C=C=C(C)C.
What is the InChIKey of (1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid?
The InChIKey is YCQPNBPNDCJGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2O3P/c1-4-13-14(11,12)8(9,10)6-5-7(2)3/h6H,4H2,1-3H3,(H,11,12).
What are the key properties of (1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid?
(1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid has a molecular weight of 226.16 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid is sourced from PubChem (CID 76764487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).