(2S)-2-(4-chloro-2-fluorophenyl)aziridine

C8H7ClFN — CID 55264086

IUPAC(2S)-2-(4-chloro-2-fluorophenyl)aziridine
SMILESFc1cc(Cl)ccc1[C@H]1CN1
InChIInChI=1S/C8H7ClFN/c9-5-1-2-6(7(10)3-5)8-4-11-8/h1-3,8,11H,4H2/t8-/m1/s1
InChIKeyTUUGFUGVPGZESW-MRVPVSSYSA-N
MW171.60 g/mol
LogP2.12
Rot. Bonds1

About (2S)-2-(4-chloro-2-fluorophenyl)aziridine

(2S)-2-(4-chloro-2-fluorophenyl)aziridine (PubChem CID 55264086) has the molecular formula C8H7ClFN and a molecular weight of 171.60 g/mol. Its IUPAC name is (2S)-2-(4-chloro-2-fluorophenyl)aziridine.

Molecular Properties

Compound Name(2S)-2-(4-chloro-2-fluorophenyl)aziridine
PubChem CID55264086
Molecular FormulaC8H7ClFN
Molecular Weight171.60 g/mol
Exact Mass171.03
IUPAC Name(2S)-2-(4-chloro-2-fluorophenyl)aziridine
SMILESFc1cc(Cl)ccc1[C@H]1CN1
InChIInChI=1S/C8H7ClFN/c9-5-1-2-6(7(10)3-5)8-4-11-8/h1-3,8,11H,4H2/t8-/m1/s1
InChIKeyTUUGFUGVPGZESW-MRVPVSSYSA-N
XLogP2.12
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.60
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-2-fluorophenyl)aziridine?
The IUPAC name of (2S)-2-(4-chloro-2-fluorophenyl)aziridine (CID 55264086) is (2S)-2-(4-chloro-2-fluorophenyl)aziridine.
What is the SMILES notation for (2S)-2-(4-chloro-2-fluorophenyl)aziridine?
The canonical SMILES for (2S)-2-(4-chloro-2-fluorophenyl)aziridine is Fc1cc(Cl)ccc1[C@H]1CN1.
What is the InChIKey of (2S)-2-(4-chloro-2-fluorophenyl)aziridine?
The InChIKey is TUUGFUGVPGZESW-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H7ClFN/c9-5-1-2-6(7(10)3-5)8-4-11-8/h1-3,8,11H,4H2/t8-/m1/s1.
What are the key properties of (2S)-2-(4-chloro-2-fluorophenyl)aziridine?
(2S)-2-(4-chloro-2-fluorophenyl)aziridine has a molecular weight of 171.60 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-2-fluorophenyl)aziridine is sourced from PubChem (CID 55264086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).