1-diethoxyphosphoryl-1-fluoropentane

C9H20FO3P — CID 10775597

IUPAC1-diethoxyphosphoryl-1-fluoropentane
SMILESCCCCC(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H20FO3P/c1-4-7-8-9(10)14(11,12-5-2)13-6-3/h9H,4-8H2,1-3H3
InChIKeyRUHDEVRSWSYYDG-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.74
Rot. Bonds8

About 1-diethoxyphosphoryl-1-fluoropentane

1-diethoxyphosphoryl-1-fluoropentane (PubChem CID 10775597) has the molecular formula C9H20FO3P and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-fluoropentane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-fluoropentane
PubChem CID10775597
Molecular FormulaC9H20FO3P
Molecular Weight226.23 g/mol
Exact Mass226.11
IUPAC Name1-diethoxyphosphoryl-1-fluoropentane
SMILESCCCCC(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H20FO3P/c1-4-7-8-9(10)14(11,12-5-2)13-6-3/h9H,4-8H2,1-3H3
InChIKeyRUHDEVRSWSYYDG-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.74
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

1-diethoxyphosphoryl-1-fluoro-3-iodoheptane
CID 86198572
1-diethoxyphosphoryl-1-fluoro-4-methylpentane
CID 10681487
(2R)-1-diethoxyphosphoryl-2-fluorohexane
CID 125470992
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
1,1-bis(diethoxyphosphoryl)tridecane
CID 172732742
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
3-diethoxyphosphoryl-2-methylhept-1-ene
CID 10658188
CID 135068750
CID 135068750
ethyl (2S,3R)-3-diethoxyphosphoryl-2-hydroxyheptanoate
CID 23238044
tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium
CID 71317741
tributyl(diethoxyphosphoryloxy)phosphanium
CID 175318995
CID 102049156
CID 102049156

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1-fluoropentane?
The IUPAC name of 1-diethoxyphosphoryl-1-fluoropentane (CID 10775597) is 1-diethoxyphosphoryl-1-fluoropentane.
What is the SMILES notation for 1-diethoxyphosphoryl-1-fluoropentane?
The canonical SMILES for 1-diethoxyphosphoryl-1-fluoropentane is CCCCC(F)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1-fluoropentane?
The InChIKey is RUHDEVRSWSYYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FO3P/c1-4-7-8-9(10)14(11,12-5-2)13-6-3/h9H,4-8H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1-fluoropentane?
1-diethoxyphosphoryl-1-fluoropentane has a molecular weight of 226.23 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-fluoropentane is sourced from PubChem (CID 10775597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).