trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide

C10H9BF6NO- — CID 91759481

IUPACtrifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide
SMILESO=C(CC[B-](F)(F)F)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C10H9BF6NO/c12-10(13,14)7-3-1-2-4-8(7)18-9(19)5-6-11(15,16)17/h1-4H,5-6H2,(H,18,19)/q-1
InChIKeyKPAVIRSMZXLQRF-UHFFFAOYSA-N
MW283.99 g/mol
LogP3.88
Rot. Bonds4

About trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide

trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide (PubChem CID 91759481) has the molecular formula C10H9BF6NO- and a molecular weight of 283.99 g/mol. Its IUPAC name is trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide
PubChem CID91759481
Molecular FormulaC10H9BF6NO-
Molecular Weight283.99 g/mol
Exact Mass284.07
IUPAC Nametrifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide
SMILESO=C(CC[B-](F)(F)F)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C10H9BF6NO/c12-10(13,14)7-3-1-2-4-8(7)18-9(19)5-6-11(15,16)17/h1-4H,5-6H2,(H,18,19)/q-1
InChIKeyKPAVIRSMZXLQRF-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.99
LogP ≤ 53.88
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

3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
2-(4-phenylphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26087747
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19220927
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
3-piperidin-4-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62209957
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
3-(2-methoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 17034567

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide?
The IUPAC name of trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide (CID 91759481) is trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide.
What is the SMILES notation for trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide?
The canonical SMILES for trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide is O=C(CC[B-](F)(F)F)Nc1ccccc1C(F)(F)F.
What is the InChIKey of trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide?
The InChIKey is KPAVIRSMZXLQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BF6NO/c12-10(13,14)7-3-1-2-4-8(7)18-9(19)5-6-11(15,16)17/h1-4H,5-6H2,(H,18,19)/q-1.
What are the key properties of trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide?
trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide has a molecular weight of 283.99 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide is sourced from PubChem (CID 91759481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).