(2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate

C7H6FO3S- — CID 6946678

IUPAC(2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate
SMILESCO[C@@H](C(=O)[O-])c1ccsc1F
InChIInChI=1S/C7H7FO3S/c1-11-5(7(9)10)4-2-3-12-6(4)8/h2-3,5H,1H3,(H,9,10)/p-1/t5-/m1/s1
InChIKeyKSRYUGMSNJAOSH-RXMQYKEDSA-M
MW189.19 g/mol
LogP0.32
Rot. Bonds3

About (2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate

(2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate (PubChem CID 6946678) has the molecular formula C7H6FO3S- and a molecular weight of 189.19 g/mol. Its IUPAC name is (2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate.

Molecular Properties

Compound Name(2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate
PubChem CID6946678
Molecular FormulaC7H6FO3S-
Molecular Weight189.19 g/mol
Exact Mass189.00
IUPAC Name(2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate
SMILESCO[C@@H](C(=O)[O-])c1ccsc1F
InChIInChI=1S/C7H7FO3S/c1-11-5(7(9)10)4-2-3-12-6(4)8/h2-3,5H,1H3,(H,9,10)/p-1/t5-/m1/s1
InChIKeyKSRYUGMSNJAOSH-RXMQYKEDSA-M
XLogP0.32
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate?
The IUPAC name of (2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate (CID 6946678) is (2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate.
What is the SMILES notation for (2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate?
The canonical SMILES for (2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate is CO[C@@H](C(=O)[O-])c1ccsc1F.
What is the InChIKey of (2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate?
The InChIKey is KSRYUGMSNJAOSH-RXMQYKEDSA-M. The full InChI is InChI=1S/C7H7FO3S/c1-11-5(7(9)10)4-2-3-12-6(4)8/h2-3,5H,1H3,(H,9,10)/p-1/t5-/m1/s1.
What are the key properties of (2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate?
(2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate has a molecular weight of 189.19 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorothiophen-3-yl)-2-methoxyacetate is sourced from PubChem (CID 6946678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).