N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium

C12H14F2NOTi- — CID 174382923

IUPACN-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium
SMILESCCN(C(=O)C(C)C)c1ccc(F)[c-]c1F.[Ti]
InChIInChI=1S/C12H14F2NO.Ti/c1-4-15(12(16)8(2)3)11-6-5-9(13)7-10(11)14;/h5-6,8H,4H2,1-3H3;/q-1;
InChIKeyUKLCMLUJZKFXGQ-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.77
Rot. Bonds3

About N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium

N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium (PubChem CID 174382923) has the molecular formula C12H14F2NOTi- and a molecular weight of 274.11 g/mol. Its IUPAC name is N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium.

Molecular Properties

Compound NameN-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium
PubChem CID174382923
Molecular FormulaC12H14F2NOTi-
Molecular Weight274.11 g/mol
Exact Mass274.05
IUPAC NameN-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium
SMILESCCN(C(=O)C(C)C)c1ccc(F)[c-]c1F.[Ti]
InChIInChI=1S/C12H14F2NO.Ti/c1-4-15(12(16)8(2)3)11-6-5-9(13)7-10(11)14;/h5-6,8H,4H2,1-3H3;/q-1;
InChIKeyUKLCMLUJZKFXGQ-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium?
The IUPAC name of N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium (CID 174382923) is N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium.
What is the SMILES notation for N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium?
The canonical SMILES for N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium is CCN(C(=O)C(C)C)c1ccc(F)[c-]c1F.[Ti].
What is the InChIKey of N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium?
The InChIKey is UKLCMLUJZKFXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2NO.Ti/c1-4-15(12(16)8(2)3)11-6-5-9(13)7-10(11)14;/h5-6,8H,4H2,1-3H3;/q-1;.
What are the key properties of N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium?
N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium has a molecular weight of 274.11 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2-methylpropanamide;titanium is sourced from PubChem (CID 174382923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).