2,2-difluoro-N-pyrrol-1-ylacetamide

C6H6F2N2O — CID 130778264

IUPAC2,2-difluoro-N-pyrrol-1-ylacetamide
SMILESO=C(Nn1cccc1)C(F)F
InChIInChI=1S/C6H6F2N2O/c7-5(8)6(11)9-10-3-1-2-4-10/h1-5H,(H,9,11)
InChIKeyYCAPMAONEWAWPQ-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.82
Rot. Bonds2

About 2,2-difluoro-N-pyrrol-1-ylacetamide

2,2-difluoro-N-pyrrol-1-ylacetamide (PubChem CID 130778264) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 2,2-difluoro-N-pyrrol-1-ylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-pyrrol-1-ylacetamide
PubChem CID130778264
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name2,2-difluoro-N-pyrrol-1-ylacetamide
SMILESO=C(Nn1cccc1)C(F)F
InChIInChI=1S/C6H6F2N2O/c7-5(8)6(11)9-10-3-1-2-4-10/h1-5H,(H,9,11)
InChIKeyYCAPMAONEWAWPQ-UHFFFAOYSA-N
XLogP0.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(3-fluoropyrrol-1-yl)carbamate
CID 177851270
N-pyrrol-1-ylformamide
CID 56980626
N-ureidopyrrole
CID 66968528
N-Nitrosopyrrolidine, HFBA-derivative
CID 91752924
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-1-amine
CID 79100097
1,1,1-Trifluoro-3-(pyrrol-1-ylamino)propan-2-ol
CID 79100825
N-(3,3,3-trifluoropropyl)pyrrol-1-amine
CID 79101147
2-(pyrrol-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79101260
N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79101294
N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-1-amine
CID 79101337
N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine
CID 79101346
N-(2,2-difluoroethyl)pyrrol-1-amine
CID 79101448

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-pyrrol-1-ylacetamide?
The IUPAC name of 2,2-difluoro-N-pyrrol-1-ylacetamide (CID 130778264) is 2,2-difluoro-N-pyrrol-1-ylacetamide.
What is the SMILES notation for 2,2-difluoro-N-pyrrol-1-ylacetamide?
The canonical SMILES for 2,2-difluoro-N-pyrrol-1-ylacetamide is O=C(Nn1cccc1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-pyrrol-1-ylacetamide?
The InChIKey is YCAPMAONEWAWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c7-5(8)6(11)9-10-3-1-2-4-10/h1-5H,(H,9,11).
What are the key properties of 2,2-difluoro-N-pyrrol-1-ylacetamide?
2,2-difluoro-N-pyrrol-1-ylacetamide has a molecular weight of 160.12 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-pyrrol-1-ylacetamide is sourced from PubChem (CID 130778264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).