trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide

C12H14BF4O2- — CID 103135573

IUPACtrifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
SMILESCC1CCC(COc2ccc(F)cc2[B-](F)(F)F)O1
InChIInChI=1S/C12H14BF4O2/c1-8-2-4-10(19-8)7-18-12-5-3-9(14)6-11(12)13(15,16)17/h3,5-6,8,10H,2,4,7H2,1H3/q-1
InChIKeyBWZLDJAPVYMCFX-UHFFFAOYSA-N
MW277.05 g/mol
LogP2.83
Rot. Bonds4

About trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide

trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide (PubChem CID 103135573) has the molecular formula C12H14BF4O2- and a molecular weight of 277.05 g/mol. Its IUPAC name is trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
PubChem CID103135573
Molecular FormulaC12H14BF4O2-
Molecular Weight277.05 g/mol
Exact Mass277.10
IUPAC Nametrifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
SMILESCC1CCC(COc2ccc(F)cc2[B-](F)(F)F)O1
InChIInChI=1S/C12H14BF4O2/c1-8-2-4-10(19-8)7-18-12-5-3-9(14)6-11(12)13(15,16)17/h3,5-6,8,10H,2,4,7H2,1H3/q-1
InChIKeyBWZLDJAPVYMCFX-UHFFFAOYSA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.05
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135595
potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135604
2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane
CID 103134451
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-trifluoroboranuide
CID 116522457
(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133258
potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135581
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 107690882
3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 103136462
3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132575
4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol
CID 103136463
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002

Frequently Asked Questions

What is the IUPAC name of trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide?
The IUPAC name of trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide (CID 103135573) is trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide.
What is the SMILES notation for trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide?
The canonical SMILES for trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide is CC1CCC(COc2ccc(F)cc2[B-](F)(F)F)O1.
What is the InChIKey of trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide?
The InChIKey is BWZLDJAPVYMCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BF4O2/c1-8-2-4-10(19-8)7-18-12-5-3-9(14)6-11(12)13(15,16)17/h3,5-6,8,10H,2,4,7H2,1H3/q-1.
What are the key properties of trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide?
trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide has a molecular weight of 277.05 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide is sourced from PubChem (CID 103135573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).