(3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid

C11H11F3O2S — CID 166025284

IUPAC(3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESO=C(O)C[C@H](c1cccs1)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H11F3O2S/c12-11(13,14)10(3-4-10)7(6-9(15)16)8-2-1-5-17-8/h1-2,5,7H,3-4,6H2,(H,15,16)/t7-/m1/s1
InChIKeyNJYUEEFLONOYEW-SSDOTTSWSA-N
MW264.27 g/mol
LogP3.65
Rot. Bonds4

About (3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid

(3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (PubChem CID 166025284) has the molecular formula C11H11F3O2S and a molecular weight of 264.27 g/mol. Its IUPAC name is (3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.

Molecular Properties

Compound Name(3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
PubChem CID166025284
Molecular FormulaC11H11F3O2S
Molecular Weight264.27 g/mol
Exact Mass264.04
IUPAC Name(3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESO=C(O)C[C@H](c1cccs1)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H11F3O2S/c12-11(13,14)10(3-4-10)7(6-9(15)16)8-2-1-5-17-8/h1-2,5,7H,3-4,6H2,(H,15,16)/t7-/m1/s1
InChIKeyNJYUEEFLONOYEW-SSDOTTSWSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The IUPAC name of (3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (CID 166025284) is (3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.
What is the SMILES notation for (3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The canonical SMILES for (3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is O=C(O)C[C@H](c1cccs1)C1(C(F)(F)F)CC1.
What is the InChIKey of (3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The InChIKey is NJYUEEFLONOYEW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11F3O2S/c12-11(13,14)10(3-4-10)7(6-9(15)16)8-2-1-5-17-8/h1-2,5,7H,3-4,6H2,(H,15,16)/t7-/m1/s1.
What are the key properties of (3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
(3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid has a molecular weight of 264.27 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is sourced from PubChem (CID 166025284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).