CID 89006052

C9H7BF3NO — CID 89006052

IUPAC—
SMILES[B]CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7BF3NO/c10-5-8(15)14-7-3-1-2-6(4-7)9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyNHYZVFHPERETIL-UHFFFAOYSA-N
MW212.97 g/mol
LogP2.23
Rot. Bonds2

About CID 89006052

CID 89006052 (PubChem CID 89006052) has the molecular formula C9H7BF3NO and a molecular weight of 212.97 g/mol.

Molecular Properties

Compound NameCID 89006052
PubChem CID89006052
Molecular FormulaC9H7BF3NO
Molecular Weight212.97 g/mol
Exact Mass213.06
IUPAC Name—
SMILES[B]CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7BF3NO/c10-5-8(15)14-7-3-1-2-6(4-7)9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyNHYZVFHPERETIL-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.97
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
2-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide dichloride
CID 21177507
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956065

Frequently Asked Questions

What is the IUPAC name of CID 89006052?
The IUPAC name of CID 89006052 (CID 89006052) is not available.
What is the SMILES notation for CID 89006052?
The canonical SMILES for CID 89006052 is [B]CC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of CID 89006052?
The InChIKey is NHYZVFHPERETIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BF3NO/c10-5-8(15)14-7-3-1-2-6(4-7)9(11,12)13/h1-4H,5H2,(H,14,15).
What are the key properties of CID 89006052?
CID 89006052 has a molecular weight of 212.97 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89006052 is sourced from PubChem (CID 89006052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).