potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide

C12H14BF4KO2 — CID 103135581

IUPACpotassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
SMILESCC1CCC(COc2ccc([B-](F)(F)F)c(F)c2)O1.[K+]
InChIInChI=1S/C12H14BF4O2.K/c1-8-2-3-10(19-8)7-18-9-4-5-11(12(14)6-9)13(15,16)17;/h4-6,8,10H,2-3,7H2,1H3;/q-1;+1
InChIKeyUWDTZAAGDQMHHZ-UHFFFAOYSA-N
MW316.14 g/mol
LogP-0.17
Rot. Bonds4

About potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide

potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide (PubChem CID 103135581) has the molecular formula C12H14BF4KO2 and a molecular weight of 316.14 g/mol. Its IUPAC name is potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
PubChem CID103135581
Molecular FormulaC12H14BF4KO2
Molecular Weight316.14 g/mol
Exact Mass316.07
IUPAC Namepotassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
SMILESCC1CCC(COc2ccc([B-](F)(F)F)c(F)c2)O1.[K+]
InChIInChI=1S/C12H14BF4O2.K/c1-8-2-3-10(19-8)7-18-9-4-5-11(12(14)6-9)13(15,16)17;/h4-6,8,10H,2-3,7H2,1H3;/q-1;+1
InChIKeyUWDTZAAGDQMHHZ-UHFFFAOYSA-N
XLogP-0.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 5-0.17
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
2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103143092
potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135604
trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135573
potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide
CID 83140603
[2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
CID 103132539
2-bromo-5-[(5-methyloxolan-2-yl)methoxy]benzaldehyde
CID 103134514
2-chloro-4-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134259
trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
CID 65202575
2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132575
2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane
CID 103135320

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide (CID 103135581) is potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide is CC1CCC(COc2ccc([B-](F)(F)F)c(F)c2)O1.[K+].
What is the InChIKey of potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide?
The InChIKey is UWDTZAAGDQMHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BF4O2.K/c1-8-2-3-10(19-8)7-18-9-4-5-11(12(14)6-9)13(15,16)17;/h4-6,8,10H,2-3,7H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide?
potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide has a molecular weight of 316.14 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide is sourced from PubChem (CID 103135581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).