(1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid

C9H15F2O3P — CID 11975163

IUPAC(1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(F)(F)C=C=CC(C)C
InChIInChI=1S/C9H15F2O3P/c1-4-14-15(12,13)9(10,11)7-5-6-8(2)3/h6-8H,4H2,1-3H3,(H,12,13)
InChIKeyZIZMVKKMQHWWST-UHFFFAOYSA-N
MW240.19 g/mol
LogP3.17
Rot. Bonds5

About (1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid

(1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid (PubChem CID 11975163) has the molecular formula C9H15F2O3P and a molecular weight of 240.19 g/mol. Its IUPAC name is (1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid.

Molecular Properties

Compound Name(1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid
PubChem CID11975163
Molecular FormulaC9H15F2O3P
Molecular Weight240.19 g/mol
Exact Mass240.07
IUPAC Name(1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(F)(F)C=C=CC(C)C
InChIInChI=1S/C9H15F2O3P/c1-4-14-15(12,13)9(10,11)7-5-6-8(2)3/h6-8H,4H2,1-3H3,(H,12,13)
InChIKeyZIZMVKKMQHWWST-UHFFFAOYSA-N
XLogP3.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 53.17
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

Diethyl(1,1-difluoro-3-butenyl)phosphonate
CID 10353710
4-Diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene
CID 14268063
(1,1-Difluoro-4-methylpenta-2,3-dienyl)-ethoxyphosphinic acid
CID 76764487
(3E)-4-diethoxyphosphoryl-1,1-difluoro-2-methylbuta-1,3-diene
CID 10331842
(Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene
CID 11066985
(Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene
CID 11172117
(E)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene
CID 11276135
1-Diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene
CID 11437096
(3-Cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid
CID 11975165
Diethyl (1,1-difluorobuta-2,3-dien-1-yl)phosphonate
CID 14268064
2-[Diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene
CID 15418133
1-Diethoxyphosphoryl-1,1-difluoropenta-2,3-diene
CID 101098287

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid?
The IUPAC name of (1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid (CID 11975163) is (1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid.
What is the SMILES notation for (1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid?
The canonical SMILES for (1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid is CCOP(=O)(O)C(F)(F)C=C=CC(C)C.
What is the InChIKey of (1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid?
The InChIKey is ZIZMVKKMQHWWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2O3P/c1-4-14-15(12,13)9(10,11)7-5-6-8(2)3/h6-8H,4H2,1-3H3,(H,12,13).
What are the key properties of (1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid?
(1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid has a molecular weight of 240.19 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-5-methylhexa-2,3-dienyl)-ethoxyphosphinic acid is sourced from PubChem (CID 11975163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).