3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine

C8H9F2N3 — CID 162596917

IUPAC3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine
SMILES[H]/N=C(/c1cc[nH]c1NC=C)C(F)F
InChIInChI=1S/C8H9F2N3/c1-2-12-8-5(3-4-13-8)6(11)7(9)10/h2-4,7,11-13H,1H2/b11-6-
InChIKeyFTWRLVQNGISQSK-WDZFZDKYSA-N
MW185.18 g/mol
LogP2.20
Rot. Bonds4

About 3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine

3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine (PubChem CID 162596917) has the molecular formula C8H9F2N3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine
PubChem CID162596917
Molecular FormulaC8H9F2N3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine
SMILES[H]/N=C(/c1cc[nH]c1NC=C)C(F)F
InChIInChI=1S/C8H9F2N3/c1-2-12-8-5(3-4-13-8)6(11)7(9)10/h2-4,7,11-13H,1H2/b11-6-
InChIKeyFTWRLVQNGISQSK-WDZFZDKYSA-N
XLogP2.20
TPSA51.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,7-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 58996103
CID 71549273
CID 71549273
CID 78107871
CID 78107871
2-(1H-pyrrol-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 90330752
4-(trifluoromethyl)-1H-pyrrol-2-amine
CID 90994152
4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine
CID 121413471
5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CID 126731668
3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine
CID 137060553
N-ethylidene-6-fluoro-N'-methyl-1,4,7,8-tetrahydropyrrolo[2,3-b]azepine-3-carboximidamide
CID 137100268
N-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine
CID 141167373
4-(difluoromethyl)-N-[(4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine
CID 145100072
N-[3-(1-fluoroethenyl)-1H-pyrrol-2-yl]methanimine
CID 145262858

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine?
The IUPAC name of 3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine (CID 162596917) is 3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine.
What is the SMILES notation for 3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine?
The canonical SMILES for 3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine is [H]/N=C(/c1cc[nH]c1NC=C)C(F)F.
What is the InChIKey of 3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine?
The InChIKey is FTWRLVQNGISQSK-WDZFZDKYSA-N. The full InChI is InChI=1S/C8H9F2N3/c1-2-12-8-5(3-4-13-8)6(11)7(9)10/h2-4,7,11-13H,1H2/b11-6-.
What are the key properties of 3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine?
3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine has a molecular weight of 185.18 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethanimidoyl)-N-ethenyl-1H-pyrrol-2-amine is sourced from PubChem (CID 162596917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).