1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene

C10H12BrClFO3P — CID 166610007

IUPAC1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene
SMILESCCOP(=O)(OCC)c1c(F)cc(Cl)cc1Br
InChIInChI=1S/C10H12BrClFO3P/c1-3-15-17(14,16-4-2)10-8(11)5-7(12)6-9(10)13/h5-6H,3-4H2,1-2H3
InChIKeyLMBIUCOMKCZRLF-UHFFFAOYSA-N
MW345.53 g/mol
LogP4.13
Rot. Bonds5

About 1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene

1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene (PubChem CID 166610007) has the molecular formula C10H12BrClFO3P and a molecular weight of 345.53 g/mol. Its IUPAC name is 1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene
PubChem CID166610007
Molecular FormulaC10H12BrClFO3P
Molecular Weight345.53 g/mol
Exact Mass343.94
IUPAC Name1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene
SMILESCCOP(=O)(OCC)c1c(F)cc(Cl)cc1Br
InChIInChI=1S/C10H12BrClFO3P/c1-3-15-17(14,16-4-2)10-8(11)5-7(12)6-9(10)13/h5-6H,3-4H2,1-2H3
InChIKeyLMBIUCOMKCZRLF-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.13
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

Diethyl (3-Bromo-5-fluorophenyl)phosphonate
CID 57681248
(3-Bromo-5-fluorophenyl)-ethoxyphosphinic acid
CID 57681263
(3-Chloro-5-fluorophenyl)-ethoxyphosphinic acid
CID 57681292
1-Chloro-3-diethoxyphosphoryl-5-fluorobenzene
CID 57681355
Diethyl (4-Chloro-2-fluorophenyl)phosphonate
CID 59481793
4-Chloro-2-diethoxyphosphoryl-1-fluorobenzene
CID 87636958
(3-Bromo-5-chloro-4-fluorophenyl)dimethylphosphine oxide
CID 162682369
Diethyl (4-Bromo-2-fluorophenyl)phosphonate
CID 164809758
(4-Bromo-2-fluorophenyl)-ethoxy-oxophosphanium
CID 176174934
Diethyl (2-Chloro-4-fluorophenyl)phosphonate
CID 13630045
Phosphonothioic acid, (4-bromo-2-chlorophenyl)-, O,O-diethyl ester
CID 24841621
Diethyl (4-Bromo-2,6-difluorophenyl)phosphonate
CID 166609862

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene?
The IUPAC name of 1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene (CID 166610007) is 1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene.
What is the SMILES notation for 1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene?
The canonical SMILES for 1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene is CCOP(=O)(OCC)c1c(F)cc(Cl)cc1Br.
What is the InChIKey of 1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene?
The InChIKey is LMBIUCOMKCZRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClFO3P/c1-3-15-17(14,16-4-2)10-8(11)5-7(12)6-9(10)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene?
1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene has a molecular weight of 345.53 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-chloro-2-diethoxyphosphoryl-3-fluorobenzene is sourced from PubChem (CID 166610007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).