trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide

C9H10BF4O2- — CID 65202575

IUPACtrifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
SMILESCOCCOc1ccc([B-](F)(F)F)c(F)c1
InChIInChI=1S/C9H10BF4O2/c1-15-4-5-16-7-2-3-8(9(11)6-7)10(12,13)14/h2-3,6H,4-5H2,1H3/q-1
InChIKeyHCEIQOKCOJJVTG-UHFFFAOYSA-N
MW236.98 g/mol
LogP1.91
Rot. Bonds5

About trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide

trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide (PubChem CID 65202575) has the molecular formula C9H10BF4O2- and a molecular weight of 236.98 g/mol. Its IUPAC name is trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
PubChem CID65202575
Molecular FormulaC9H10BF4O2-
Molecular Weight236.98 g/mol
Exact Mass237.07
IUPAC Nametrifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
SMILESCOCCOc1ccc([B-](F)(F)F)c(F)c1
InChIInChI=1S/C9H10BF4O2/c1-15-4-5-16-7-2-3-8(9(11)6-7)10(12,13)14/h2-3,6H,4-5H2,1H3/q-1
InChIKeyHCEIQOKCOJJVTG-UHFFFAOYSA-N
XLogP1.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.98
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide
CID 65202692
trifluoro-[2-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]boranuide
CID 65203069
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677654
trifluoro-[4-[3-(2-methoxyethoxy)propoxy]-2-methylphenyl]boranuide
CID 103410555
trifluoro-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 65202804
trifluoro-[4-[2-(3-methoxypropoxy)ethoxy]-2-methylphenyl]boranuide
CID 103180931
potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677653
2-fluoro-5-(2-methoxyethoxy)phenol
CID 125116238
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide
CID 104706273
trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide
CID 65203015

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide (CID 65202575) is trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide is COCCOc1ccc([B-](F)(F)F)c(F)c1.
What is the InChIKey of trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide?
The InChIKey is HCEIQOKCOJJVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BF4O2/c1-15-4-5-16-7-2-3-8(9(11)6-7)10(12,13)14/h2-3,6H,4-5H2,1H3/q-1.
What are the key properties of trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide?
trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide has a molecular weight of 236.98 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide is sourced from PubChem (CID 65202575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).