3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene

C8H9ClS — CID 67942354

IUPAC3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene
SMILESClC[C@@H]1C[C@H]1c1ccsc1
InChIInChI=1S/C8H9ClS/c9-4-7-3-8(7)6-1-2-10-5-6/h1-2,5,7-8H,3-4H2/t7-,8-/m0/s1
InChIKeyUQTOFZUKDDYETJ-YUMQZZPRSA-N
MW172.68 g/mol
LogP3.09
Rot. Bonds2

About 3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene

3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene (PubChem CID 67942354) has the molecular formula C8H9ClS and a molecular weight of 172.68 g/mol. Its IUPAC name is 3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene.

Molecular Properties

Compound Name3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene
PubChem CID67942354
Molecular FormulaC8H9ClS
Molecular Weight172.68 g/mol
Exact Mass172.01
IUPAC Name3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene
SMILESClC[C@@H]1C[C@H]1c1ccsc1
InChIInChI=1S/C8H9ClS/c9-4-7-3-8(7)6-1-2-10-5-6/h1-2,5,7-8H,3-4H2/t7-,8-/m0/s1
InChIKeyUQTOFZUKDDYETJ-YUMQZZPRSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.68
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene?
The IUPAC name of 3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene (CID 67942354) is 3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene.
What is the SMILES notation for 3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene?
The canonical SMILES for 3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene is ClC[C@@H]1C[C@H]1c1ccsc1.
What is the InChIKey of 3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene?
The InChIKey is UQTOFZUKDDYETJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H9ClS/c9-4-7-3-8(7)6-1-2-10-5-6/h1-2,5,7-8H,3-4H2/t7-,8-/m0/s1.
What are the key properties of 3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene?
3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene has a molecular weight of 172.68 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene is sourced from PubChem (CID 67942354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).