(Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene

C9H18FO3P — CID 11172117

IUPAC(Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene
SMILESCCOP(=O)(OCC)/C(F)=C\C(C)C
InChIInChI=1S/C9H18FO3P/c1-5-12-14(11,13-6-2)9(10)7-8(3)4/h7-8H,5-6H2,1-4H3/b9-7-
InChIKeyREVNUMYJBAVULL-CLFYSBASSA-N
MW224.21 g/mol
LogP3.72
Rot. Bonds6

About (Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene

(Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene (PubChem CID 11172117) has the molecular formula C9H18FO3P and a molecular weight of 224.21 g/mol. Its IUPAC name is (Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene.

Molecular Properties

Compound Name(Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene
PubChem CID11172117
Molecular FormulaC9H18FO3P
Molecular Weight224.21 g/mol
Exact Mass224.10
IUPAC Name(Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene
SMILESCCOP(=O)(OCC)/C(F)=C\C(C)C
InChIInChI=1S/C9H18FO3P/c1-5-12-14(11,13-6-2)9(10)7-8(3)4/h7-8H,5-6H2,1-4H3/b9-7-
InChIKeyREVNUMYJBAVULL-CLFYSBASSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene
CID 12843905
(E)-1-diethoxyphosphoryl-3-fluorobut-1-ene
CID 13635635
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene
CID 134933674
Diethyl 5-methyl-2,3-hexadien-1-yl phosphate
CID 85822806
(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
CID 11830581
2-Diethoxyphosphoryl-3-methylbut-1-ene
CID 19006548
4-Diethoxyphosphoryl-4-fluorobut-1-ene
CID 10774791
1-Diethoxyphosphoryl-5-fluoropenta-2,3-diene
CID 174943691
2-Diethoxyphosphoryl-3,3-dimethylbut-1-ene
CID 23421664
4-Diethoxyphosphorylpenta-1,2-diene
CID 12534453
5-Diethoxyphosphoryl-2-methylhexa-2,3-diene
CID 12534457

Frequently Asked Questions

What is the IUPAC name of (Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene?
The IUPAC name of (Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene (CID 11172117) is (Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene.
What is the SMILES notation for (Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene?
The canonical SMILES for (Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene is CCOP(=O)(OCC)/C(F)=C\C(C)C.
What is the InChIKey of (Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene?
The InChIKey is REVNUMYJBAVULL-CLFYSBASSA-N. The full InChI is InChI=1S/C9H18FO3P/c1-5-12-14(11,13-6-2)9(10)7-8(3)4/h7-8H,5-6H2,1-4H3/b9-7-.
What are the key properties of (Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene?
(Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene has a molecular weight of 224.21 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene is sourced from PubChem (CID 11172117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).