trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid

C8H7ClO2S — CID 71264468

IUPACtrans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccc(Cl)s1
InChIInChI=1S/C8H7ClO2S/c9-7-2-1-6(12-7)4-3-5(4)8(10)11/h1-2,4-5H,3H2,(H,10,11)/t4-,5-/m1/s1
InChIKeyFJXYZGVJJOLGLQ-RFZPGFLSSA-N
MW202.66 g/mol
LogP2.59
Rot. Bonds2

About trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 71264468) has the molecular formula C8H7ClO2S and a molecular weight of 202.66 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid
PubChem CID71264468
Molecular FormulaC8H7ClO2S
Molecular Weight202.66 g/mol
Exact Mass201.99
IUPAC Nametrans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccc(Cl)s1
InChIInChI=1S/C8H7ClO2S/c9-7-2-1-6(12-7)4-3-5(4)8(10)11/h1-2,4-5H,3H2,(H,10,11)/t4-,5-/m1/s1
InChIKeyFJXYZGVJJOLGLQ-RFZPGFLSSA-N
XLogP2.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid (CID 71264468) is trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1ccc(Cl)s1.
What is the InChIKey of trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is FJXYZGVJJOLGLQ-RFZPGFLSSA-N. The full InChI is InChI=1S/C8H7ClO2S/c9-7-2-1-6(12-7)4-3-5(4)8(10)11/h1-2,4-5H,3H2,(H,10,11)/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 202.66 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 71264468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).