1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene

C12H13Cl — CID 54091231

IUPAC1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene
SMILESClc1cccc([C@@H]2C[C@H]2C2CC2)c1
InChIInChI=1S/C12H13Cl/c13-10-3-1-2-9(6-10)12-7-11(12)8-4-5-8/h1-3,6,8,11-12H,4-5,7H2/t11-,12-/m0/s1
InChIKeyIIWPBYFFMIYLKS-RYUDHWBXSA-N
MW192.69 g/mol
LogP3.85
Rot. Bonds2

About 1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene

1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene (PubChem CID 54091231) has the molecular formula C12H13Cl and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene
PubChem CID54091231
Molecular FormulaC12H13Cl
Molecular Weight192.69 g/mol
Exact Mass192.07
IUPAC Name1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene
SMILESClc1cccc([C@@H]2C[C@H]2C2CC2)c1
InChIInChI=1S/C12H13Cl/c13-10-3-1-2-9(6-10)12-7-11(12)8-4-5-8/h1-3,6,8,11-12H,4-5,7H2/t11-,12-/m0/s1
InChIKeyIIWPBYFFMIYLKS-RYUDHWBXSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene?
The IUPAC name of 1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene (CID 54091231) is 1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene.
What is the SMILES notation for 1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene?
The canonical SMILES for 1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene is Clc1cccc([C@@H]2C[C@H]2C2CC2)c1.
What is the InChIKey of 1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene?
The InChIKey is IIWPBYFFMIYLKS-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H13Cl/c13-10-3-1-2-9(6-10)12-7-11(12)8-4-5-8/h1-3,6,8,11-12H,4-5,7H2/t11-,12-/m0/s1.
What are the key properties of 1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene?
1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene has a molecular weight of 192.69 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene is sourced from PubChem (CID 54091231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).