3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid

C8H7F3O3S — CID 64553522

IUPAC3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCCC(F)(F)F
InChIInChI=1S/C8H7F3O3S/c9-8(10,11)2-3-14-5-1-4-15-6(5)7(12)13/h1,4H,2-3H2,(H,12,13)
InChIKeyRPOYRWRTWGELPI-UHFFFAOYSA-N
MW240.20 g/mol
LogP2.78
Rot. Bonds4

About 3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid

3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid (PubChem CID 64553522) has the molecular formula C8H7F3O3S and a molecular weight of 240.20 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid
PubChem CID64553522
Molecular FormulaC8H7F3O3S
Molecular Weight240.20 g/mol
Exact Mass240.01
IUPAC Name3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCCC(F)(F)F
InChIInChI=1S/C8H7F3O3S/c9-8(10,11)2-3-14-5-1-4-15-6(5)7(12)13/h1,4H,2-3H2,(H,12,13)
InChIKeyRPOYRWRTWGELPI-UHFFFAOYSA-N
XLogP2.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,2,2-trifluoroethoxy)ethoxy]thiophene-2-carboxylic acid
CID 63336275
3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid
CID 132917329
3-(3-methylbut-3-enoxy)thiophene-2-carboxylic acid
CID 114471319
3-(2-phenylethoxy)thiophene-2-carboxylic acid
CID 55203100
3-but-3-ynoxythiophene-2-carboxylic acid
CID 63338399
3-[3-(dimethylamino)butoxy]thiophene-2-carboxylic acid
CID 82037737
3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid
CID 63774713
3-(5-cyano-5-methylhexoxy)thiophene-2-carboxylic acid
CID 106708493
3-[(2,3,4,5,6-pentafluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 63335962
3-[3-(2-fluoroanilino)-3-oxopropoxy]thiophene-2-carboxylic acid
CID 63336040
3-[2-(3-methylphenoxy)ethoxy]thiophene-2-carboxylic acid
CID 55201757
3-(3-methylbut-2-enoxy)thiophene-2-carboxylic acid
CID 63338354

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid?
The IUPAC name of 3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid (CID 64553522) is 3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid is O=C(O)c1sccc1OCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid?
The InChIKey is RPOYRWRTWGELPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O3S/c9-8(10,11)2-3-14-5-1-4-15-6(5)7(12)13/h1,4H,2-3H2,(H,12,13).
What are the key properties of 3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid?
3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid has a molecular weight of 240.20 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 64553522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).