cis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate

C11H11FO3S — CID 102131962

IUPACcis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(F)C[C@H]1C(=O)c1cccs1
InChIInChI=1S/C11H11FO3S/c1-2-15-10(14)11(12)6-7(11)9(13)8-4-3-5-16-8/h3-5,7H,2,6H2,1H3/t7-,11-/m0/s1
InChIKeyVTOIAEXCAGXOIR-CPCISQLKSA-N
MW242.27 g/mol
LogP2.22
Rot. Bonds4

About cis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate

cis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate (PubChem CID 102131962) has the molecular formula C11H11FO3S and a molecular weight of 242.27 g/mol. Its IUPAC name is cis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate
PubChem CID102131962
Molecular FormulaC11H11FO3S
Molecular Weight242.27 g/mol
Exact Mass242.04
IUPAC Namecis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(F)C[C@H]1C(=O)c1cccs1
InChIInChI=1S/C11H11FO3S/c1-2-15-10(14)11(12)6-7(11)9(13)8-4-3-5-16-8/h3-5,7H,2,6H2,1H3/t7-,11-/m0/s1
InChIKeyVTOIAEXCAGXOIR-CPCISQLKSA-N
XLogP2.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate (CID 102131962) is cis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate is CCOC(=O)[C@]1(F)C[C@H]1C(=O)c1cccs1.
What is the InChIKey of cis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate?
The InChIKey is VTOIAEXCAGXOIR-CPCISQLKSA-N. The full InChI is InChI=1S/C11H11FO3S/c1-2-15-10(14)11(12)6-7(11)9(13)8-4-3-5-16-8/h3-5,7H,2,6H2,1H3/t7-,11-/m0/s1.
What are the key properties of cis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate?
cis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate has a molecular weight of 242.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2S)-1-fluoro-2-(thiophene-2-carbonyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 102131962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).