(2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine

C15H11BrClF2N — CID 123921668

IUPAC(2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine
SMILESC[C@]1(c2ccc(Br)cc2F)N[C@@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H11BrClF2N/c1-15(10-4-3-9(16)7-12(10)18)14(20-15)8-2-5-11(17)13(19)6-8/h2-7,14,20H,1H3/t14-,15-/m1/s1
InChIKeyCJYDQIHURCKMNP-HUUCEWRRSA-N
MW358.61 g/mol
LogP4.94
Rot. Bonds2

About (2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine

(2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine (PubChem CID 123921668) has the molecular formula C15H11BrClF2N and a molecular weight of 358.61 g/mol. Its IUPAC name is (2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine.

Molecular Properties

Compound Name(2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine
PubChem CID123921668
Molecular FormulaC15H11BrClF2N
Molecular Weight358.61 g/mol
Exact Mass356.97
IUPAC Name(2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine
SMILESC[C@]1(c2ccc(Br)cc2F)N[C@@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H11BrClF2N/c1-15(10-4-3-9(16)7-12(10)18)14(20-15)8-2-5-11(17)13(19)6-8/h2-7,14,20H,1H3/t14-,15-/m1/s1
InChIKeyCJYDQIHURCKMNP-HUUCEWRRSA-N
XLogP4.94
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine 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

3-(4-Chloro-3-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine
CID 58007052
N-[1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropan-2-amine
CID 117616040
(1R,2S)-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propane-1,2-diamine
CID 123279976
(2R,3R)-3-(4-chloro-3-fluorophenyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]aziridine
CID 123431922
(1R,2S)-2-azido-2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propan-1-amine
CID 123891001
2-(4-Chloro-2-fluorophenyl)-3-(4-chlorophenyl)-2-methylaziridine
CID 142700422
3-(4-Chlorophenyl)-2-(3,4-difluorophenyl)-2-methylaziridine
CID 142700428
3-(4-Chloro-2-fluorophenyl)-2-(4-chlorophenyl)-2-methylaziridine
CID 142700434
1-(4-bromophenyl)-N-[3-(4-chlorophenyl)propyl]propan-2-amine
CID 155119485
(R)-N-(3-bromobenzyl)-1-(4-chlorophenyl)ethan-1-amine
CID 28645148
(4-Bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine
CID 24697243
(4-Bromophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 24709014

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine?
The IUPAC name of (2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine (CID 123921668) is (2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine.
What is the SMILES notation for (2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine?
The canonical SMILES for (2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine is C[C@]1(c2ccc(Br)cc2F)N[C@@H]1c1ccc(Cl)c(F)c1.
What is the InChIKey of (2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine?
The InChIKey is CJYDQIHURCKMNP-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H11BrClF2N/c1-15(10-4-3-9(16)7-12(10)18)14(20-15)8-2-5-11(17)13(19)6-8/h2-7,14,20H,1H3/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine?
(2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine has a molecular weight of 358.61 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-bromo-2-fluorophenyl)-3-(4-chloro-3-fluorophenyl)-2-methylaziridine is sourced from PubChem (CID 123921668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).