3,3,3-trifluoro-N-pyrrol-1-ylpropanamide

C7H7F3N2O — CID 130708172

IUPAC3,3,3-trifluoro-N-pyrrol-1-ylpropanamide
SMILESO=C(CC(F)(F)F)Nn1cccc1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)5-6(13)11-12-3-1-2-4-12/h1-4H,5H2,(H,11,13)
InChIKeyWJNCMHBVUDBPGQ-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.51
Rot. Bonds2

About 3,3,3-trifluoro-N-pyrrol-1-ylpropanamide

3,3,3-trifluoro-N-pyrrol-1-ylpropanamide (PubChem CID 130708172) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-pyrrol-1-ylpropanamide
PubChem CID130708172
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name3,3,3-trifluoro-N-pyrrol-1-ylpropanamide
SMILESO=C(CC(F)(F)F)Nn1cccc1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)5-6(13)11-12-3-1-2-4-12/h1-4H,5H2,(H,11,13)
InChIKeyWJNCMHBVUDBPGQ-UHFFFAOYSA-N
XLogP1.51
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-pyrrol-1-ylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-pyrrol-1-ylpropanamide (CID 130708172) is 3,3,3-trifluoro-N-pyrrol-1-ylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-pyrrol-1-ylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-pyrrol-1-ylpropanamide is O=C(CC(F)(F)F)Nn1cccc1.
What is the InChIKey of 3,3,3-trifluoro-N-pyrrol-1-ylpropanamide?
The InChIKey is WJNCMHBVUDBPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)5-6(13)11-12-3-1-2-4-12/h1-4H,5H2,(H,11,13).
What are the key properties of 3,3,3-trifluoro-N-pyrrol-1-ylpropanamide?
3,3,3-trifluoro-N-pyrrol-1-ylpropanamide has a molecular weight of 192.14 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-pyrrol-1-ylpropanamide is sourced from PubChem (CID 130708172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).