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

C8H8BrClFOP — CID 162682369

IUPAC1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene
SMILESCP(C)(=O)c1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C8H8BrClFOP/c1-13(2,12)5-3-6(9)8(11)7(10)4-5/h3-4H,1-2H3
InChIKeyNGEOYAAQUFAPNK-UHFFFAOYSA-N
MW285.48 g/mol
LogP3.49
Rot. Bonds1

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

1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene (PubChem CID 162682369) has the molecular formula C8H8BrClFOP and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene
PubChem CID162682369
Molecular FormulaC8H8BrClFOP
Molecular Weight285.48 g/mol
Exact Mass283.92
IUPAC Name1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene
SMILESCP(C)(=O)c1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C8H8BrClFOP/c1-13(2,12)5-3-6(9)8(11)7(10)4-5/h3-4H,1-2H3
InChIKeyNGEOYAAQUFAPNK-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-arsoroso-1-bromo-3-chloro-2-fluorobenzene
CID 172524611
3-bromo-5-chloro-4-fluorobenzamide
CID 131622385
2-bromo-4-dimethylphosphorylaniline
CID 169246473
3-(3-bromo-5-chloro-4-fluorophenyl)butanal
CID 117448551
2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone
CID 117420397
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)acetic acid
CID 117454067
N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine
CID 117389561
(3-bromo-5-chloro-2,6-difluorophenyl)boronic acid
CID 74892414
(6-bromo-4-chloro-2,3-difluorophenyl)-trimethylsilane
CID 164894251
4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
CID 117469643
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol
CID 117424956
6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one
CID 114759607

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene?
The IUPAC name of 1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene (CID 162682369) is 1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene.
What is the SMILES notation for 1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene?
The canonical SMILES for 1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene is CP(C)(=O)c1cc(Cl)c(F)c(Br)c1.
What is the InChIKey of 1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene?
The InChIKey is NGEOYAAQUFAPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFOP/c1-13(2,12)5-3-6(9)8(11)7(10)4-5/h3-4H,1-2H3.
What are the key properties of 1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene?
1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene has a molecular weight of 285.48 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-5-dimethylphosphoryl-2-fluorobenzene is sourced from PubChem (CID 162682369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).