N-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide

C10H11F2N3O — CID 135267312

IUPACN-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide
SMILESCC(=O)Nc1n[nH]c2c1C1CCC1C2(F)F
InChIInChI=1S/C10H11F2N3O/c1-4(16)13-9-7-5-2-3-6(5)10(11,12)8(7)14-15-9/h5-6H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyPBGFQPLTTZQPSA-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.97
Rot. Bonds1

About N-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide

N-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide (PubChem CID 135267312) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is N-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide.

Molecular Properties

Compound NameN-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide
PubChem CID135267312
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC NameN-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide
SMILESCC(=O)Nc1n[nH]c2c1C1CCC1C2(F)F
InChIInChI=1S/C10H11F2N3O/c1-4(16)13-9-7-5-2-3-6(5)10(11,12)8(7)14-15-9/h5-6H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyPBGFQPLTTZQPSA-UHFFFAOYSA-N
XLogP1.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide?
The IUPAC name of N-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide (CID 135267312) is N-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide.
What is the SMILES notation for N-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide?
The canonical SMILES for N-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide is CC(=O)Nc1n[nH]c2c1C1CCC1C2(F)F.
What is the InChIKey of N-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide?
The InChIKey is PBGFQPLTTZQPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O/c1-4(16)13-9-7-5-2-3-6(5)10(11,12)8(7)14-15-9/h5-6H,2-3H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide?
N-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide has a molecular weight of 227.21 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-difluoro-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-10-yl)acetamide is sourced from PubChem (CID 135267312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).