3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium

C11H11ClF2NOTi- — CID 87593765

IUPAC3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium
SMILESCC(C)(CCl)C(=O)Nc1ccc(F)[c-]c1F.[Ti]
InChIInChI=1S/C11H11ClF2NO.Ti/c1-11(2,6-12)10(16)15-9-4-3-7(13)5-8(9)14;/h3-4H,6H2,1-2H3,(H,15,16);/q-1;
InChIKeyVFBFOIJWEGGDDA-UHFFFAOYSA-N
MW294.53 g/mol
LogP2.97
Rot. Bonds3

About 3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium

3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium (PubChem CID 87593765) has the molecular formula C11H11ClF2NOTi- and a molecular weight of 294.53 g/mol. Its IUPAC name is 3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium.

Molecular Properties

Compound Name3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium
PubChem CID87593765
Molecular FormulaC11H11ClF2NOTi-
Molecular Weight294.53 g/mol
Exact Mass294.00
IUPAC Name3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium
SMILESCC(C)(CCl)C(=O)Nc1ccc(F)[c-]c1F.[Ti]
InChIInChI=1S/C11H11ClF2NO.Ti/c1-11(2,6-12)10(16)15-9-4-3-7(13)5-8(9)14;/h3-4H,6H2,1-2H3,(H,15,16);/q-1;
InChIKeyVFBFOIJWEGGDDA-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium?
The IUPAC name of 3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium (CID 87593765) is 3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium.
What is the SMILES notation for 3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium?
The canonical SMILES for 3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium is CC(C)(CCl)C(=O)Nc1ccc(F)[c-]c1F.[Ti].
What is the InChIKey of 3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium?
The InChIKey is VFBFOIJWEGGDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2NO.Ti/c1-11(2,6-12)10(16)15-9-4-3-7(13)5-8(9)14;/h3-4H,6H2,1-2H3,(H,15,16);/q-1;.
What are the key properties of 3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium?
3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium has a molecular weight of 294.53 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide;titanium is sourced from PubChem (CID 87593765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).