trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide

C10H10BF4- — CID 10400156

IUPACtrifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide
SMILESCC(C)=Cc1ccc(F)c([B-](F)(F)F)c1
InChIInChI=1S/C10H10BF4/c1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15/h3-6H,1-2H3/q-1
InChIKeyKFEDXDCEFOLPLU-UHFFFAOYSA-N
MW216.99 g/mol
LogP3.30
Rot. Bonds2

About trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide

trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide (PubChem CID 10400156) has the molecular formula C10H10BF4- and a molecular weight of 216.99 g/mol. Its IUPAC name is trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide
PubChem CID10400156
Molecular FormulaC10H10BF4-
Molecular Weight216.99 g/mol
Exact Mass217.08
IUPAC Nametrifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide
SMILESCC(C)=Cc1ccc(F)c([B-](F)(F)F)c1
InChIInChI=1S/C10H10BF4/c1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15/h3-6H,1-2H3/q-1
InChIKeyKFEDXDCEFOLPLU-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.99
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene
CID 23105944
4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene
CID 58006826
4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene
CID 79324340
2-amino-4-(2-methylprop-1-enyl)benzoic acid
CID 138696621
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
(E)-4-(4-bromo-3-fluorophenyl)-3-methylbut-3-en-2-one
CID 103090855
(E)-4-(3,4-difluorophenyl)-3-methylbut-3-en-2-amine
CID 103091698
3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol
CID 79334676
(E)-4-(3-chloro-4-fluorophenyl)-3-methylbut-3-en-2-one
CID 103090853
3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine
CID 79330405
1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene
CID 170081606
(E)-N-aminosulfanyl-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-enamide
CID 155177086

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide?
The IUPAC name of trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide (CID 10400156) is trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide.
What is the SMILES notation for trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide?
The canonical SMILES for trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide is CC(C)=Cc1ccc(F)c([B-](F)(F)F)c1.
What is the InChIKey of trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide?
The InChIKey is KFEDXDCEFOLPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BF4/c1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15/h3-6H,1-2H3/q-1.
What are the key properties of trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide?
trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide has a molecular weight of 216.99 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-fluoro-5-(2-methylprop-1-enyl)phenyl]boranuide is sourced from PubChem (CID 10400156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).