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

C7H7F3N2O — CID 115190191

IUPAC2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide
SMILESCN(C(=O)C(F)(F)F)c1cc[nH]c1
InChIInChI=1S/C7H7F3N2O/c1-12(5-2-3-11-4-5)6(13)7(8,9)10/h2-4,11H,1H3
InChIKeyQTTKMTCNFOCSPO-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.54
Rot. Bonds1

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

2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide (PubChem CID 115190191) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide
PubChem CID115190191
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide
SMILESCN(C(=O)C(F)(F)F)c1cc[nH]c1
InChIInChI=1S/C7H7F3N2O/c1-12(5-2-3-11-4-5)6(13)7(8,9)10/h2-4,11H,1H3
InChIKeyQTTKMTCNFOCSPO-UHFFFAOYSA-N
XLogP1.54
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide (CID 115190191) is 2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide is CN(C(=O)C(F)(F)F)c1cc[nH]c1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide?
The InChIKey is QTTKMTCNFOCSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-12(5-2-3-11-4-5)6(13)7(8,9)10/h2-4,11H,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide?
2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide has a molecular weight of 192.14 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 115190191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).