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

C11H10Cl2 — CID 134996323

IUPAC[(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene
SMILESCl/C=C(\Cl)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C11H10Cl2/c12-7-11(13)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2/b11-7-/t9-,10-/m0/s1
InChIKeyMSFXARRZWJGQPS-VLFDAMPASA-N
MW213.11 g/mol
LogP4.11
Rot. Bonds2

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

[(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene (PubChem CID 134996323) has the molecular formula C11H10Cl2 and a molecular weight of 213.11 g/mol. Its IUPAC name is [(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene.

Molecular Properties

Compound Name[(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene
PubChem CID134996323
Molecular FormulaC11H10Cl2
Molecular Weight213.11 g/mol
Exact Mass212.02
IUPAC Name[(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene
SMILESCl/C=C(\Cl)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C11H10Cl2/c12-7-11(13)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2/b11-7-/t9-,10-/m0/s1
InChIKeyMSFXARRZWJGQPS-VLFDAMPASA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene?
The IUPAC name of [(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene (CID 134996323) is [(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene.
What is the SMILES notation for [(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene?
The canonical SMILES for [(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene is Cl/C=C(\Cl)[C@H]1C[C@H]1c1ccccc1.
What is the InChIKey of [(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene?
The InChIKey is MSFXARRZWJGQPS-VLFDAMPASA-N. The full InChI is InChI=1S/C11H10Cl2/c12-7-11(13)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2/b11-7-/t9-,10-/m0/s1.
What are the key properties of [(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene?
[(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene has a molecular weight of 213.11 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene is sourced from PubChem (CID 134996323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).