2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

C8H10F3N3O — CID 79101260

IUPAC2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNn1cccc1)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6-12-7(15)5-13-14-3-1-2-4-14/h1-4,13H,5-6H2,(H,12,15)
InChIKeyCANRDFGSKZECHN-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.71
Rot. Bonds4

About 2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79101260) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79101260
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNn1cccc1)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6-12-7(15)5-13-14-3-1-2-4-14/h1-4,13H,5-6H2,(H,12,15)
InChIKeyCANRDFGSKZECHN-UHFFFAOYSA-N
XLogP0.71
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-pyrrol-1-ylacetamide
CID 130778264
2-chloro-2,2-difluoro-N-[2-(1H-pyrrol-1-yl)ethyl]acetamide
CID 3504607
4-(1H-pyrrol-1-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 49741208
2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 63810484
2-[3-(ethylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66405518
2-[3-(propylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66405738
2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66405899
2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66409062
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine
CID 79100097
N-(3,3,3-trifluoropropyl)pyrrol-1-amine
CID 79101147
N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79101294
N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-1-amine
CID 79101337

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 79101260) is 2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNn1cccc1)NCC(F)(F)F.
What is the InChIKey of 2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CANRDFGSKZECHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)6-12-7(15)5-13-14-3-1-2-4-14/h1-4,13H,5-6H2,(H,12,15).
What are the key properties of 2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 221.18 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79101260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).