N-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide

C8H10F2N2O — CID 155071920

IUPACN-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1C(F)=CC=CC1(N)F
InChIInChI=1S/C8H10F2N2O/c1-5(13)12-7-6(9)3-2-4-8(7,10)11/h2-4,7H,11H2,1H3,(H,12,13)
InChIKeyMQBAUZPYHSBXEJ-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.54
Rot. Bonds1

About N-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide

N-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 155071920) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is N-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide
PubChem CID155071920
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC NameN-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1C(F)=CC=CC1(N)F
InChIInChI=1S/C8H10F2N2O/c1-5(13)12-7-6(9)3-2-4-8(7,10)11/h2-4,7H,11H2,1H3,(H,12,13)
InChIKeyMQBAUZPYHSBXEJ-UHFFFAOYSA-N
XLogP0.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of N-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide (CID 155071920) is N-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for N-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide is CC(=O)NC1C(F)=CC=CC1(N)F.
What is the InChIKey of N-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is MQBAUZPYHSBXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-5(13)12-7-6(9)3-2-4-8(7,10)11/h2-4,7H,11H2,1H3,(H,12,13).
What are the key properties of N-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide?
N-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 188.18 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,6-difluorocyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 155071920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).