2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide

C7H7F3N2O — CID 106385167

IUPAC2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESO=C(NCc1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(13)12-4-5-1-2-11-3-5/h1-3,11H,4H2,(H,12,13)
InChIKeyMNTQVQAEKZJZOY-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.19
Rot. Bonds2

About 2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide

2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide (PubChem CID 106385167) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide
PubChem CID106385167
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESO=C(NCc1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(13)12-4-5-1-2-11-3-5/h1-3,11H,4H2,(H,12,13)
InChIKeyMNTQVQAEKZJZOY-UHFFFAOYSA-N
XLogP1.19
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide (CID 106385167) is 2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide is O=C(NCc1cc[nH]c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide?
The InChIKey is MNTQVQAEKZJZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)6(13)12-4-5-1-2-11-3-5/h1-3,11H,4H2,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide?
2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide has a molecular weight of 192.14 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide is sourced from PubChem (CID 106385167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).