N-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium

C11H13FNOY- — CID 59988029

IUPACN-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium
SMILESCC(C)C(=O)N(C)c1[c-]cccc1F.[Y]
InChIInChI=1S/C11H13FNO.Y/c1-8(2)11(14)13(3)10-7-5-4-6-9(10)12;/h4-6,8H,1-3H3;/q-1;
InChIKeyBJMSZFGCNNAZDJ-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.24
Rot. Bonds2

About N-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium

N-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium (PubChem CID 59988029) has the molecular formula C11H13FNOY- and a molecular weight of 283.13 g/mol. Its IUPAC name is N-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium.

Molecular Properties

Compound NameN-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium
PubChem CID59988029
Molecular FormulaC11H13FNOY-
Molecular Weight283.13 g/mol
Exact Mass283.00
IUPAC NameN-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium
SMILESCC(C)C(=O)N(C)c1[c-]cccc1F.[Y]
InChIInChI=1S/C11H13FNO.Y/c1-8(2)11(14)13(3)10-7-5-4-6-9(10)12;/h4-6,8H,1-3H3;/q-1;
InChIKeyBJMSZFGCNNAZDJ-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-1,3,6-trimethylpyridin-2-one
CID 22890216
N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide
CID 123264155
N,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide
CID 123671236
N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide
CID 142030407
N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium
CID 174382923
N-(2,4-difluorobenzene-3-id-1-yl)-N-ethylpropanamide;titanium
CID 174383436
N-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium
CID 174442610

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium?
The IUPAC name of N-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium (CID 59988029) is N-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium.
What is the SMILES notation for N-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium?
The canonical SMILES for N-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium is CC(C)C(=O)N(C)c1[c-]cccc1F.[Y].
What is the InChIKey of N-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium?
The InChIKey is BJMSZFGCNNAZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FNO.Y/c1-8(2)11(14)13(3)10-7-5-4-6-9(10)12;/h4-6,8H,1-3H3;/q-1;.
What are the key properties of N-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium?
N-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium has a molecular weight of 283.13 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorobenzene-6-id-1-yl)-N,2-dimethylpropanamide;yttrium is sourced from PubChem (CID 59988029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).