trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide

C13H17BF4NO- — CID 114674892

IUPACtrifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide
SMILESFc1ccc([B-](F)(F)F)cc1OCCN1CCCCC1
InChIInChI=1S/C13H17BF4NO/c15-12-5-4-11(14(16,17)18)10-13(12)20-9-8-19-6-2-1-3-7-19/h4-5,10H,1-3,6-9H2/q-1
InChIKeyHGGHWKSGDIKCOH-UHFFFAOYSA-N
MW290.09 g/mol
LogP2.74
Rot. Bonds5

About trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide

trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide (PubChem CID 114674892) has the molecular formula C13H17BF4NO- and a molecular weight of 290.09 g/mol. Its IUPAC name is trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide
PubChem CID114674892
Molecular FormulaC13H17BF4NO-
Molecular Weight290.09 g/mol
Exact Mass290.13
IUPAC Nametrifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide
SMILESFc1ccc([B-](F)(F)F)cc1OCCN1CCCCC1
InChIInChI=1S/C13H17BF4NO/c15-12-5-4-11(14(16,17)18)10-13(12)20-9-8-19-6-2-1-3-7-19/h4-5,10H,1-3,6-9H2/q-1
InChIKeyHGGHWKSGDIKCOH-UHFFFAOYSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.09
LogP ≤ 52.74
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

trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 63676415
4-fluoro-3-(2-piperidin-1-ylethoxy)aniline
CID 139983014
potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 63677681
trifluoro-[3-(2-pyrrolidin-1-ylethoxy)phenyl]boranuide
CID 63678115
potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114675089
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
1-[2-(2-fluoro-4-propylphenoxy)ethyl]piperidine
CID 91082463
4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 62376118
1-[2-[4-(4-fluoro-3-methoxyphenyl)phenoxy]ethyl]pyrrolidine
CID 70094877
[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 55179828
3-[4-fluoro-3-(3-pyrrolidin-1-ylpropoxy)phenyl]prop-2-yn-1-ol
CID 114675221

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide (CID 114674892) is trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide is Fc1ccc([B-](F)(F)F)cc1OCCN1CCCCC1.
What is the InChIKey of trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide?
The InChIKey is HGGHWKSGDIKCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BF4NO/c15-12-5-4-11(14(16,17)18)10-13(12)20-9-8-19-6-2-1-3-7-19/h4-5,10H,1-3,6-9H2/q-1.
What are the key properties of trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide?
trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide has a molecular weight of 290.09 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide is sourced from PubChem (CID 114674892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).