N-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium

C9H9FNOTi- — CID 174442610

IUPACN-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium
SMILESCC(=O)N(C)c1c[c-]c(F)cc1.[Ti]
InChIInChI=1S/C9H9FNO.Ti/c1-7(12)11(2)9-5-3-8(10)4-6-9;/h3,5-6H,1-2H3;/q-1;
InChIKeyWWVMMORCNWFMKP-UHFFFAOYSA-N
MW214.04 g/mol
LogP1.61
Rot. Bonds1

About N-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium

N-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium (PubChem CID 174442610) has the molecular formula C9H9FNOTi- and a molecular weight of 214.04 g/mol. Its IUPAC name is N-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium.

Molecular Properties

Compound NameN-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium
PubChem CID174442610
Molecular FormulaC9H9FNOTi-
Molecular Weight214.04 g/mol
Exact Mass214.02
IUPAC NameN-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium
SMILESCC(=O)N(C)c1c[c-]c(F)cc1.[Ti]
InChIInChI=1S/C9H9FNO.Ti/c1-7(12)11(2)9-5-3-8(10)4-6-9;/h3,5-6H,1-2H3;/q-1;
InChIKeyWWVMMORCNWFMKP-UHFFFAOYSA-N
XLogP1.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 51.61
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-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium?
The IUPAC name of N-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium (CID 174442610) is N-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium.
What is the SMILES notation for N-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium?
The canonical SMILES for N-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium is CC(=O)N(C)c1c[c-]c(F)cc1.[Ti].
What is the InChIKey of N-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium?
The InChIKey is WWVMMORCNWFMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FNO.Ti/c1-7(12)11(2)9-5-3-8(10)4-6-9;/h3,5-6H,1-2H3;/q-1;.
What are the key properties of N-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium?
N-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium has a molecular weight of 214.04 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorobenzene-5-id-1-yl)-N-methylacetamide;titanium is sourced from PubChem (CID 174442610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).