[(1S)-1,2,2-trichlorocyclopropyl]benzene

C9H7Cl3 — CID 95239829

IUPAC[(1S)-1,2,2-trichlorocyclopropyl]benzene
SMILESClC1(Cl)C[C@]1(Cl)c1ccccc1
InChIInChI=1S/C9H7Cl3/c10-8(6-9(8,11)12)7-4-2-1-3-5-7/h1-5H,6H2/t8-/m0/s1
InChIKeyONAJYBXETTZZQP-QMMMGPOBSA-N
MW221.51 g/mol
LogP3.70
Rot. Bonds1

About [(1S)-1,2,2-trichlorocyclopropyl]benzene

[(1S)-1,2,2-trichlorocyclopropyl]benzene (PubChem CID 95239829) has the molecular formula C9H7Cl3 and a molecular weight of 221.51 g/mol. Its IUPAC name is [(1S)-1,2,2-trichlorocyclopropyl]benzene.

Molecular Properties

Compound Name[(1S)-1,2,2-trichlorocyclopropyl]benzene
PubChem CID95239829
Molecular FormulaC9H7Cl3
Molecular Weight221.51 g/mol
Exact Mass219.96
IUPAC Name[(1S)-1,2,2-trichlorocyclopropyl]benzene
SMILESClC1(Cl)C[C@]1(Cl)c1ccccc1
InChIInChI=1S/C9H7Cl3/c10-8(6-9(8,11)12)7-4-2-1-3-5-7/h1-5H,6H2/t8-/m0/s1
InChIKeyONAJYBXETTZZQP-QMMMGPOBSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1S)-1,2,2-trichlorocyclopropyl]benzene 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

(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
[2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene
CID 14924955
lithium (2-chloro-1-phenylcyclopropyl)benzene
CID 16686610
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
3-chloro-3-(1-phenylcyclopropyl)oxydiazirine
CID 101347638
(1,5,5-trichlorocyclohex-3-en-1-yl)benzene
CID 172813377
3,3-dichloro-5-methyl-2,5-diphenyloxolan-2-ol
CID 10336292
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
CID 132561908
3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374
2-chloro-2-phenyl-3,4-dihydrothiochromene
CID 70578232
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185

Frequently Asked Questions

What is the IUPAC name of [(1S)-1,2,2-trichlorocyclopropyl]benzene?
The IUPAC name of [(1S)-1,2,2-trichlorocyclopropyl]benzene (CID 95239829) is [(1S)-1,2,2-trichlorocyclopropyl]benzene.
What is the SMILES notation for [(1S)-1,2,2-trichlorocyclopropyl]benzene?
The canonical SMILES for [(1S)-1,2,2-trichlorocyclopropyl]benzene is ClC1(Cl)C[C@]1(Cl)c1ccccc1.
What is the InChIKey of [(1S)-1,2,2-trichlorocyclopropyl]benzene?
The InChIKey is ONAJYBXETTZZQP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H7Cl3/c10-8(6-9(8,11)12)7-4-2-1-3-5-7/h1-5H,6H2/t8-/m0/s1.
What are the key properties of [(1S)-1,2,2-trichlorocyclopropyl]benzene?
[(1S)-1,2,2-trichlorocyclopropyl]benzene has a molecular weight of 221.51 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1,2,2-trichlorocyclopropyl]benzene is sourced from PubChem (CID 95239829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).