trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide

C9H10BF4O- — CID 65202687

IUPACtrifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide
SMILESCC(C)Oc1ccc([B-](F)(F)F)c(F)c1
InChIInChI=1S/C9H10BF4O/c1-6(2)15-7-3-4-8(9(11)5-7)10(12,13)14/h3-6H,1-2H3/q-1
InChIKeyXWJLQOANWAYHFW-UHFFFAOYSA-N
MW220.98 g/mol
LogP2.67
Rot. Bonds3

About trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide

trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide (PubChem CID 65202687) has the molecular formula C9H10BF4O- and a molecular weight of 220.98 g/mol. Its IUPAC name is trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide.

Molecular Properties

Compound Nametrifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide
PubChem CID65202687
Molecular FormulaC9H10BF4O-
Molecular Weight220.98 g/mol
Exact Mass221.08
IUPAC Nametrifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide
SMILESCC(C)Oc1ccc([B-](F)(F)F)c(F)c1
InChIInChI=1S/C9H10BF4O/c1-6(2)15-7-3-4-8(9(11)5-7)10(12,13)14/h3-6H,1-2H3/q-1
InChIKeyXWJLQOANWAYHFW-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.98
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-(2-fluoro-4-pentan-2-yloxyphenyl)boranuide
CID 107896223
trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
CID 65202575
1-fluoro-2-iodo-4-propan-2-yloxybenzene
CID 131606959
1-ethenyl-2-fluoro-4-propan-2-yloxybenzene
CID 175665867
2-fluoro-4-propan-2-yloxybenzaldehyde;methane
CID 166468133
5-propan-2-yloxy-2-(2,4,5-trifluorophenyl)benzoic acid
CID 172651642
(4-butan-2-yloxy-2-methylphenyl)-trifluoroboranuide
CID 83135004
2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 79661221
trifluoro-(2-propan-2-yloxyphenyl)boranuide
CID 63677239
(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339553
3-(4-acetyl-3-fluorophenoxy)butan-2-one
CID 107717446
4-[bromo-(4-propan-2-yloxyphenyl)methyl]-1,2-difluorobenzene
CID 63441119

Frequently Asked Questions

What is the IUPAC name of trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide?
The IUPAC name of trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide (CID 65202687) is trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide.
What is the SMILES notation for trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide?
The canonical SMILES for trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide is CC(C)Oc1ccc([B-](F)(F)F)c(F)c1.
What is the InChIKey of trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide?
The InChIKey is XWJLQOANWAYHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BF4O/c1-6(2)15-7-3-4-8(9(11)5-7)10(12,13)14/h3-6H,1-2H3/q-1.
What are the key properties of trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide?
trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide has a molecular weight of 220.98 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide is sourced from PubChem (CID 65202687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).