[(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid

C11H20FO2P — CID 143340153

IUPAC[(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid
SMILESCC/C(=C\C(C)=C(C)C)CP(=O)(O)CF
InChIInChI=1S/C11H20FO2P/c1-5-11(6-10(4)9(2)3)7-15(13,14)8-12/h6H,5,7-8H2,1-4H3,(H,13,14)/b11-6+
InChIKeyRHCGNPFBHLATBX-IZZDOVSWSA-N
MW234.25 g/mol
LogP3.88
Rot. Bonds5

About [(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid

[(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid (PubChem CID 143340153) has the molecular formula C11H20FO2P and a molecular weight of 234.25 g/mol. Its IUPAC name is [(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid.

Molecular Properties

Compound Name[(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid
PubChem CID143340153
Molecular FormulaC11H20FO2P
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name[(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid
SMILESCC/C(=C\C(C)=C(C)C)CP(=O)(O)CF
InChIInChI=1S/C11H20FO2P/c1-5-11(6-10(4)9(2)3)7-15(13,14)8-12/h6H,5,7-8H2,1-4H3,(H,13,14)/b11-6+
InChIKeyRHCGNPFBHLATBX-IZZDOVSWSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid
CID 10353790
fluoro-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]phosphinic acid
CID 142143106
difluoromethyl-[(2E)-4-methylpenta-2,4-dien-2-yl]phosphinic acid
CID 148353857
[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphonic acid
CID 21835318
[(4E,6E)-3,7,11-trimethyldodeca-1,2,4,6,10-pentaenyl]phosphonic acid
CID 21835319
4,8-Dimethylnona-1,3,7-trienylphosphonic acid
CID 53842691
3,7,11-Trimethyldodeca-1,2,4,6,10-pentaenylphosphonic acid
CID 54148241
3,7,11-Trimethyl-2,4,6,10-dodecatetraenyl-phosphonic acid
CID 54211224
[(3E)-4-ethylhepta-3,5-dien-3-yl]phosphonic acid
CID 87390803
[(3E)-4-ethyl-6-methylhepta-3,5-dien-3-yl]phosphonic acid
CID 87918701
[(5E,7E,11E)-4,5-dimethyltrideca-2,3,5,7,11-pentaen-2-yl]phosphonic acid
CID 88258895
4-Ethylhepta-3,5-dien-3-ylphosphonic acid
CID 90935578

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid?
The IUPAC name of [(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid (CID 143340153) is [(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid.
What is the SMILES notation for [(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid?
The canonical SMILES for [(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid is CC/C(=C\C(C)=C(C)C)CP(=O)(O)CF.
What is the InChIKey of [(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid?
The InChIKey is RHCGNPFBHLATBX-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H20FO2P/c1-5-11(6-10(4)9(2)3)7-15(13,14)8-12/h6H,5,7-8H2,1-4H3,(H,13,14)/b11-6+.
What are the key properties of [(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid?
[(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid has a molecular weight of 234.25 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethyl-4,5-dimethylhexa-2,4-dienyl]-(fluoromethyl)phosphinic acid is sourced from PubChem (CID 143340153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).