4-chloro-1-diethoxyphosphoryl-1-fluorobutane

C8H17ClFO3P — CID 10752983

IUPAC4-chloro-1-diethoxyphosphoryl-1-fluorobutane
SMILESCCOP(=O)(OCC)C(F)CCCCl
InChIInChI=1S/C8H17ClFO3P/c1-3-12-14(11,13-4-2)8(10)6-5-7-9/h8H,3-7H2,1-2H3
InChIKeyFWTZHQNCGGRQJZ-UHFFFAOYSA-N
MW246.65 g/mol
LogP3.57
Rot. Bonds8

About 4-chloro-1-diethoxyphosphoryl-1-fluorobutane

4-chloro-1-diethoxyphosphoryl-1-fluorobutane (PubChem CID 10752983) has the molecular formula C8H17ClFO3P and a molecular weight of 246.65 g/mol. Its IUPAC name is 4-chloro-1-diethoxyphosphoryl-1-fluorobutane.

Molecular Properties

Compound Name4-chloro-1-diethoxyphosphoryl-1-fluorobutane
PubChem CID10752983
Molecular FormulaC8H17ClFO3P
Molecular Weight246.65 g/mol
Exact Mass246.06
IUPAC Name4-chloro-1-diethoxyphosphoryl-1-fluorobutane
SMILESCCOP(=O)(OCC)C(F)CCCCl
InChIInChI=1S/C8H17ClFO3P/c1-3-12-14(11,13-4-2)8(10)6-5-7-9/h8H,3-7H2,1-2H3
InChIKeyFWTZHQNCGGRQJZ-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(3-chloropropyl)(3-chloropropyl)phosphonate
CID 237876
1-Chloro-3-diethoxyphosphoryl-propane
CID 13323297
Ethyl 1-(2-chloroethyl)-methylphosphinate
CID 86691708
1-[(2-Chloro-1-fluoroethoxy)-methoxyphosphoryl]butane
CID 53700807
1-[(2-Chloro-1-fluoroethoxy)-methoxyphosphoryl]propane
CID 54430099
1-[(2-Chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane
CID 54477782
O,O-diisopropyl (3-chloropropyl)phosphonate
CID 9124920
1-Chloropropyl-ethoxy-oxophosphanium
CID 85703785
Dibutyl 4-chlorobutylphosphonate
CID 129804568
2-Chloro-1-fluoroethyl propyl propylphosphonate
CID 71385074
5-Chloro-1-diethoxyphosphoryl-1,1-difluoropentane
CID 85912538
2-Chloro-1-[1-chlorobutan-2-yl(2-chlorobutoxy)phosphoryl]oxybutane
CID 304388

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-diethoxyphosphoryl-1-fluorobutane?
The IUPAC name of 4-chloro-1-diethoxyphosphoryl-1-fluorobutane (CID 10752983) is 4-chloro-1-diethoxyphosphoryl-1-fluorobutane.
What is the SMILES notation for 4-chloro-1-diethoxyphosphoryl-1-fluorobutane?
The canonical SMILES for 4-chloro-1-diethoxyphosphoryl-1-fluorobutane is CCOP(=O)(OCC)C(F)CCCCl.
What is the InChIKey of 4-chloro-1-diethoxyphosphoryl-1-fluorobutane?
The InChIKey is FWTZHQNCGGRQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClFO3P/c1-3-12-14(11,13-4-2)8(10)6-5-7-9/h8H,3-7H2,1-2H3.
What are the key properties of 4-chloro-1-diethoxyphosphoryl-1-fluorobutane?
4-chloro-1-diethoxyphosphoryl-1-fluorobutane has a molecular weight of 246.65 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-diethoxyphosphoryl-1-fluorobutane is sourced from PubChem (CID 10752983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).