(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene

C12H24FO3P — CID 12843910

IUPAC(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene
SMILESC/C(=C(/F)P(=O)(OC(C)C)OC(C)C)C(C)C
InChIInChI=1S/C12H24FO3P/c1-8(2)11(7)12(13)17(14,15-9(3)4)16-10(5)6/h8-10H,1-7H3/b12-11+
InChIKeyBVAXIPJMWQYHPQ-VAWYXSNFSA-N
MW266.29 g/mol
LogP4.89
Rot. Bonds6

About (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene

(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene (PubChem CID 12843910) has the molecular formula C12H24FO3P and a molecular weight of 266.29 g/mol. Its IUPAC name is (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene.

Molecular Properties

Compound Name(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene
PubChem CID12843910
Molecular FormulaC12H24FO3P
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Name(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene
SMILESC/C(=C(/F)P(=O)(OC(C)C)OC(C)C)C(C)C
InChIInChI=1S/C12H24FO3P/c1-8(2)11(7)12(13)17(14,15-9(3)4)16-10(5)6/h8-10H,1-7H3/b12-11+
InChIKeyBVAXIPJMWQYHPQ-VAWYXSNFSA-N
XLogP4.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 54.89
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
2-[Diethoxyphosphoryl(difluoro)methyl]-3-methylbut-1-ene
CID 15418133

Frequently Asked Questions

What is the IUPAC name of (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene?
The IUPAC name of (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene (CID 12843910) is (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene.
What is the SMILES notation for (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene?
The canonical SMILES for (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene is C/C(=C(/F)P(=O)(OC(C)C)OC(C)C)C(C)C.
What is the InChIKey of (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene?
The InChIKey is BVAXIPJMWQYHPQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H24FO3P/c1-8(2)11(7)12(13)17(14,15-9(3)4)16-10(5)6/h8-10H,1-7H3/b12-11+.
What are the key properties of (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene?
(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene has a molecular weight of 266.29 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene is sourced from PubChem (CID 12843910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).