1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane

C10H20F2IO3P — CID 10452569

IUPAC1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane
SMILESCCCC(I)CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H20F2IO3P/c1-4-7-9(13)8-10(11,12)17(14,15-5-2)16-6-3/h9H,4-8H2,1-3H3
InChIKeyYKTOJZYWZPTARG-UHFFFAOYSA-N
MW384.14 g/mol
LogP4.84
Rot. Bonds9

About 1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane

1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane (PubChem CID 10452569) has the molecular formula C10H20F2IO3P and a molecular weight of 384.14 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane
PubChem CID10452569
Molecular FormulaC10H20F2IO3P
Molecular Weight384.14 g/mol
Exact Mass384.02
IUPAC Name1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane
SMILESCCCC(I)CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H20F2IO3P/c1-4-7-9(13)8-10(11,12)17(14,15-5-2)16-6-3/h9H,4-8H2,1-3H3
InChIKeyYKTOJZYWZPTARG-UHFFFAOYSA-N
XLogP4.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.14
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Diethoxyphosphoryl-1,1-difluorooctane
CID 10039613
1,1-Difluorohexylphosphonic acid diethyl ester
CID 10445215
1-Diethoxyphosphoryl-1,1-difluoro-3-iodooctane
CID 10070240
1-Diethoxyphosphoryl-1,1-difluoro-3-iodononane
CID 10071090
1-Diethoxyphosphoryl-1,1-difluoro-3-iodoheptane
CID 10363456
1-Diethoxyphosphoryl-1-fluoro-2-iodocyclopentane
CID 134867154
Phosphonic acid, (1,1-difluorononyl)-, diethyl ester
CID 10447514
1-Diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane
CID 10341696
1-Diethoxyphosphoryl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 12731014
1-Diethoxyphosphoryl-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane
CID 85745231
4-Iodo-1,1-difluoro-1-(diethylphosphono)butane
CID 14632758
2-Dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone
CID 163785713

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane?
The IUPAC name of 1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane (CID 10452569) is 1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane?
The canonical SMILES for 1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane is CCCC(I)CC(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane?
The InChIKey is YKTOJZYWZPTARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2IO3P/c1-4-7-9(13)8-10(11,12)17(14,15-5-2)16-6-3/h9H,4-8H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane?
1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane has a molecular weight of 384.14 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1,1-difluoro-3-iodohexane is sourced from PubChem (CID 10452569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).