(4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene

C15H24FO3P — CID 11120179

IUPAC(4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@@H]1CC=C(C)/C(=C(/F)P(=O)(OCC)OCC)C1
InChIInChI=1S/C15H24FO3P/c1-6-18-20(17,19-7-2)15(16)14-10-13(11(3)4)9-8-12(14)5/h8,13H,3,6-7,9-10H2,1-2,4-5H3/b15-14-/t13-/m1/s1
InChIKeyOBRVNYDWRIQLDC-FARYLTDUSA-N
MW302.33 g/mol
LogP5.37
Rot. Bonds6

About (4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene

(4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 11120179) has the molecular formula C15H24FO3P and a molecular weight of 302.33 g/mol. Its IUPAC name is (4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID11120179
Molecular FormulaC15H24FO3P
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@@H]1CC=C(C)/C(=C(/F)P(=O)(OCC)OCC)C1
InChIInChI=1S/C15H24FO3P/c1-6-18-20(17,19-7-2)15(16)14-10-13(11(3)4)9-8-12(14)5/h8,13H,3,6-7,9-10H2,1-2,4-5H3/b15-14-/t13-/m1/s1
InChIKeyOBRVNYDWRIQLDC-FARYLTDUSA-N
XLogP5.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.33
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] 4-fluorobenzoate
CID 3959513
ethyl (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carboxylate
CID 102015354
[(4R)-4-prop-1-en-2-ylcyclopenten-1-yl]methanol
CID 102093569
1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone
CID 45085864
2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742959
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
5-but-1-en-2-yl-2-methylcyclohex-2-en-1-one
CID 142437984
ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate
CID 91137121
ethyl [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] carbonate
CID 135315960
N-(4-ethoxyphenyl)-N'-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]butanediamide
CID 6275499
2-(2-methylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 4041514

Frequently Asked Questions

What is the IUPAC name of (4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of (4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene (CID 11120179) is (4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene is C=C(C)[C@@H]1CC=C(C)/C(=C(/F)P(=O)(OCC)OCC)C1.
What is the InChIKey of (4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is OBRVNYDWRIQLDC-FARYLTDUSA-N. The full InChI is InChI=1S/C15H24FO3P/c1-6-18-20(17,19-7-2)15(16)14-10-13(11(3)4)9-8-12(14)5/h8,13H,3,6-7,9-10H2,1-2,4-5H3/b15-14-/t13-/m1/s1.
What are the key properties of (4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene?
(4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 302.33 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6Z)-6-[diethoxyphosphoryl(fluoro)methylidene]-1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 11120179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).