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

C11H12F2NOTi- — CID 174383436

IUPACN-(2,4-difluorobenzene-3-id-1-yl)-N-ethylpropanamide;titanium
SMILESCCC(=O)N(CC)c1ccc(F)[c-]c1F.[Ti]
InChIInChI=1S/C11H12F2NO.Ti/c1-3-11(15)14(4-2)10-6-5-8(12)7-9(10)13;/h5-6H,3-4H2,1-2H3;/q-1;
InChIKeyHRNHWZPLYTYVOS-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.53
Rot. Bonds3

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

N-(2,4-difluorobenzene-3-id-1-yl)-N-ethylpropanamide;titanium (PubChem CID 174383436) has the molecular formula C11H12F2NOTi- and a molecular weight of 260.09 g/mol. Its IUPAC name is N-(2,4-difluorobenzene-3-id-1-yl)-N-ethylpropanamide;titanium.

Molecular Properties

Compound NameN-(2,4-difluorobenzene-3-id-1-yl)-N-ethylpropanamide;titanium
PubChem CID174383436
Molecular FormulaC11H12F2NOTi-
Molecular Weight260.09 g/mol
Exact Mass260.04
IUPAC NameN-(2,4-difluorobenzene-3-id-1-yl)-N-ethylpropanamide;titanium
SMILESCCC(=O)N(CC)c1ccc(F)[c-]c1F.[Ti]
InChIInChI=1S/C11H12F2NO.Ti/c1-3-11(15)14(4-2)10-6-5-8(12)7-9(10)13;/h5-6H,3-4H2,1-2H3;/q-1;
InChIKeyHRNHWZPLYTYVOS-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 52.53
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-ethylpropanamide;titanium?
The IUPAC name of N-(2,4-difluorobenzene-3-id-1-yl)-N-ethylpropanamide;titanium (CID 174383436) is N-(2,4-difluorobenzene-3-id-1-yl)-N-ethylpropanamide;titanium.
What is the SMILES notation for N-(2,4-difluorobenzene-3-id-1-yl)-N-ethylpropanamide;titanium?
The canonical SMILES for N-(2,4-difluorobenzene-3-id-1-yl)-N-ethylpropanamide;titanium is CCC(=O)N(CC)c1ccc(F)[c-]c1F.[Ti].
What is the InChIKey of N-(2,4-difluorobenzene-3-id-1-yl)-N-ethylpropanamide;titanium?
The InChIKey is HRNHWZPLYTYVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2NO.Ti/c1-3-11(15)14(4-2)10-6-5-8(12)7-9(10)13;/h5-6H,3-4H2,1-2H3;/q-1;.
What are the key properties of N-(2,4-difluorobenzene-3-id-1-yl)-N-ethylpropanamide;titanium?
N-(2,4-difluorobenzene-3-id-1-yl)-N-ethylpropanamide;titanium has a molecular weight of 260.09 g/mol, XLogP of 2.53, 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-ethylpropanamide;titanium is sourced from PubChem (CID 174383436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).