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

C11H11F3O2S — CID 165404920

IUPAC(3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESO=C(O)C[C@H](c1ccsc1)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H11F3O2S/c12-11(13,14)10(2-3-10)8(5-9(15)16)7-1-4-17-6-7/h1,4,6,8H,2-3,5H2,(H,15,16)/t8-/m1/s1
InChIKeyGLJQBCVLAJHBSB-MRVPVSSYSA-N
MW264.27 g/mol
LogP3.65
Rot. Bonds4

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

(3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (PubChem CID 165404920) has the molecular formula C11H11F3O2S and a molecular weight of 264.27 g/mol. Its IUPAC name is (3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.

Molecular Properties

Compound Name(3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
PubChem CID165404920
Molecular FormulaC11H11F3O2S
Molecular Weight264.27 g/mol
Exact Mass264.04
IUPAC Name(3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESO=C(O)C[C@H](c1ccsc1)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H11F3O2S/c12-11(13,14)10(2-3-10)8(5-9(15)16)7-1-4-17-6-7/h1,4,6,8H,2-3,5H2,(H,15,16)/t8-/m1/s1
InChIKeyGLJQBCVLAJHBSB-MRVPVSSYSA-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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Related Compounds

(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405569
(3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405329
(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid;sulfane
CID 167630147
CID 165405211
CID 165405211
1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655677
2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81162908
2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265960
2-thiophen-3-ylpropanoic acid;hydrochloride
CID 67842901
3-[[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]methylamino]-3-thiophen-3-ylpropanoic acid
CID 167768142
(3S)-N-[(R)-cyano(thiophen-3-yl)methyl]-4,4,4-trifluoro-3-phenylbutanamide
CID 95594154
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
CID 64565518
3-phenyl-3-(2-thiophen-3-ylpropanoylamino)propanoic acid
CID 75513225

Frequently Asked Questions

What is the IUPAC name of (3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The IUPAC name of (3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (CID 165404920) is (3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.
What is the SMILES notation for (3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The canonical SMILES for (3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is O=C(O)C[C@H](c1ccsc1)C1(C(F)(F)F)CC1.
What is the InChIKey of (3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The InChIKey is GLJQBCVLAJHBSB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11F3O2S/c12-11(13,14)10(2-3-10)8(5-9(15)16)7-1-4-17-6-7/h1,4,6,8H,2-3,5H2,(H,15,16)/t8-/m1/s1.
What are the key properties of (3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
(3S)-3-thiophen-3-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-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is sourced from PubChem (CID 165404920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).