trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide

C10H12BF3NO- — CID 75176087

IUPACtrifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide
SMILESCC(C)C(=O)Nc1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C10H12BF3NO/c1-7(2)10(16)15-9-5-3-8(4-6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)/q-1
InChIKeyIVSNEQKKJODNIZ-UHFFFAOYSA-N
MW230.02 g/mol
LogP2.34
Rot. Bonds3

About trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide

trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide (PubChem CID 75176087) has the molecular formula C10H12BF3NO- and a molecular weight of 230.02 g/mol. Its IUPAC name is trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide
PubChem CID75176087
Molecular FormulaC10H12BF3NO-
Molecular Weight230.02 g/mol
Exact Mass230.10
IUPAC Nametrifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide
SMILESCC(C)C(=O)Nc1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C10H12BF3NO/c1-7(2)10(16)15-9-5-3-8(4-6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)/q-1
InChIKeyIVSNEQKKJODNIZ-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.02
LogP ≤ 52.34
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-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 26907229
N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide
CID 42926088
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
CID 130256848
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide
CID 2468229
N-(4-carbamothioylphenyl)-2-methylpropanamide
CID 24694083
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide?
The IUPAC name of trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide (CID 75176087) is trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide?
The canonical SMILES for trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide is CC(C)C(=O)Nc1ccc([B-](F)(F)F)cc1.
What is the InChIKey of trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide?
The InChIKey is IVSNEQKKJODNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BF3NO/c1-7(2)10(16)15-9-5-3-8(4-6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)/q-1.
What are the key properties of trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide?
trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide has a molecular weight of 230.02 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide is sourced from PubChem (CID 75176087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).