(Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene

C11H20F2IO3P — CID 15786804

IUPAC(Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene
SMILESCCCC/C(I)=C/C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C11H20F2IO3P/c1-4-7-8-10(14)9-11(12,13)18(15,16-5-2)17-6-3/h9H,4-8H2,1-3H3/b10-9-
InChIKeyRACQYACWRTUDBO-KTKRTIGZSA-N
MW396.15 g/mol
LogP5.35
Rot. Bonds9

About (Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene

(Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene (PubChem CID 15786804) has the molecular formula C11H20F2IO3P and a molecular weight of 396.15 g/mol. Its IUPAC name is (Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene.

Molecular Properties

Compound Name(Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene
PubChem CID15786804
Molecular FormulaC11H20F2IO3P
Molecular Weight396.15 g/mol
Exact Mass396.02
IUPAC Name(Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene
SMILESCCCC/C(I)=C/C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C11H20F2IO3P/c1-4-7-8-10(14)9-11(12,13)18(15,16-5-2)17-6-3/h9H,4-8H2,1-3H3/b10-9-
InChIKeyRACQYACWRTUDBO-KTKRTIGZSA-N
XLogP5.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.15
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

((E)-1,1-Difluoro-hept-2-enyl)-phosphonic acid diethyl ester
CID 10539959
(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 14268060
(Z)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 139264136
(E)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene
CID 11090556
(E)-1-diethoxyphosphoryl-1,1-difluoronon-2-ene
CID 11637975
1-[Diethoxyphosphoryl(difluoro)methyl]cyclopentene
CID 15418135
(Z)-1-diethoxyphosphoryl-1,3-difluorohex-2-ene
CID 15499030
6-Diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene
CID 23236893
(E)-1-diethoxyphosphoryl-1,1-difluorohex-2-ene
CID 101999168
(Z)-1-diethoxyphosphoryl-3-iodooct-2-ene
CID 11280250
(E)-1-diethoxyphosphoryl-3-iodooct-2-ene
CID 15880560

Frequently Asked Questions

What is the IUPAC name of (Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene?
The IUPAC name of (Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene (CID 15786804) is (Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene.
What is the SMILES notation for (Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene?
The canonical SMILES for (Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene is CCCC/C(I)=C/C(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of (Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene?
The InChIKey is RACQYACWRTUDBO-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H20F2IO3P/c1-4-7-8-10(14)9-11(12,13)18(15,16-5-2)17-6-3/h9H,4-8H2,1-3H3/b10-9-.
What are the key properties of (Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene?
(Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene has a molecular weight of 396.15 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene is sourced from PubChem (CID 15786804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).