[(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene

C11H9Cl3 — CID 101094176

IUPAC[(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene
SMILESClC(Cl)=C(Cl)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C11H9Cl3/c12-10(11(13)14)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9-/m1/s1
InChIKeyXTUWWQHIFXVSGC-RKDXNWHRSA-N
MW247.55 g/mol
LogP4.68
Rot. Bonds2

About [(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene

[(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene (PubChem CID 101094176) has the molecular formula C11H9Cl3 and a molecular weight of 247.55 g/mol. Its IUPAC name is [(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene.

Molecular Properties

Compound Name[(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene
PubChem CID101094176
Molecular FormulaC11H9Cl3
Molecular Weight247.55 g/mol
Exact Mass245.98
IUPAC Name[(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene
SMILESClC(Cl)=C(Cl)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C11H9Cl3/c12-10(11(13)14)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9-/m1/s1
InChIKeyXTUWWQHIFXVSGC-RKDXNWHRSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]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

cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
[(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene
CID 134996323
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
2-phenylcyclopropane-1-carbothioamide
CID 86086576
trimethyl-[1-(2-phenylcyclopropyl)ethenoxy]silane
CID 11139012
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone
CID 45081115
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
[(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene
CID 11672948
2-(furan-2-yl)-1-(2-phenylcyclopropyl)ethanone
CID 115795569
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene?
The IUPAC name of [(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene (CID 101094176) is [(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene.
What is the SMILES notation for [(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene?
The canonical SMILES for [(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene is ClC(Cl)=C(Cl)[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of [(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene?
The InChIKey is XTUWWQHIFXVSGC-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H9Cl3/c12-10(11(13)14)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9-/m1/s1.
What are the key properties of [(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene?
[(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene has a molecular weight of 247.55 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene is sourced from PubChem (CID 101094176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).