3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide

C10H12F3NOS — CID 175816260

IUPAC3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide
SMILESNC(=O)CCc1sccc1CCC(F)(F)F
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)5-3-7-4-6-16-8(7)1-2-9(14)15/h4,6H,1-3,5H2,(H2,14,15)
InChIKeyPLAJTYMYIUCHIW-UHFFFAOYSA-N
MW251.27 g/mol
LogP2.66
Rot. Bonds5

About 3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide

3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide (PubChem CID 175816260) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide.

Molecular Properties

Compound Name3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide
PubChem CID175816260
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide
SMILESNC(=O)CCc1sccc1CCC(F)(F)F
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)5-3-7-4-6-16-8(7)1-2-9(14)15/h4,6H,1-3,5H2,(H2,14,15)
InChIKeyPLAJTYMYIUCHIW-UHFFFAOYSA-N
XLogP2.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide?
The IUPAC name of 3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide (CID 175816260) is 3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide.
What is the SMILES notation for 3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide?
The canonical SMILES for 3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide is NC(=O)CCc1sccc1CCC(F)(F)F.
What is the InChIKey of 3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide?
The InChIKey is PLAJTYMYIUCHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c11-10(12,13)5-3-7-4-6-16-8(7)1-2-9(14)15/h4,6H,1-3,5H2,(H2,14,15).
What are the key properties of 3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide?
3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide has a molecular weight of 251.27 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,3,3-trifluoropropyl)thiophen-2-yl]propanamide is sourced from PubChem (CID 175816260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).