trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide

C12H17BF3O3- — CID 103180900

IUPACtrifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide
SMILESCOCCCOCCOc1cccc([B-](F)(F)F)c1
InChIInChI=1S/C12H17BF3O3/c1-17-6-3-7-18-8-9-19-12-5-2-4-11(10-12)13(14,15)16/h2,4-5,10H,3,6-9H2,1H3/q-1
InChIKeyFZYKAUSLJPIOGC-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.17
Rot. Bonds9

About trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide

trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide (PubChem CID 103180900) has the molecular formula C12H17BF3O3- and a molecular weight of 277.07 g/mol. Its IUPAC name is trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide
PubChem CID103180900
Molecular FormulaC12H17BF3O3-
Molecular Weight277.07 g/mol
Exact Mass277.12
IUPAC Nametrifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide
SMILESCOCCCOCCOc1cccc([B-](F)(F)F)c1
InChIInChI=1S/C12H17BF3O3/c1-17-6-3-7-18-8-9-19-12-5-2-4-11(10-12)13(14,15)16/h2,4-5,10H,3,6-9H2,1H3/q-1
InChIKeyFZYKAUSLJPIOGC-UHFFFAOYSA-N
XLogP2.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[3-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63675848
1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103179889
trifluoro-[4-[2-(3-methoxypropoxy)ethoxy]-2-methylphenyl]boranuide
CID 103180931
potassium (3-butoxyphenyl)-trifluoroboranuide
CID 63678259
trifluoro-(3-propoxyphenyl)boranuide
CID 63676814
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
potassium trifluoro-(3-pentoxyphenyl)boranuide
CID 63676807
1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891
3-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 54936296
[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678055
potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide
CID 114525782

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide?
The IUPAC name of trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide (CID 103180900) is trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide.
What is the SMILES notation for trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide?
The canonical SMILES for trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide is COCCCOCCOc1cccc([B-](F)(F)F)c1.
What is the InChIKey of trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide?
The InChIKey is FZYKAUSLJPIOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BF3O3/c1-17-6-3-7-18-8-9-19-12-5-2-4-11(10-12)13(14,15)16/h2,4-5,10H,3,6-9H2,1H3/q-1.
What are the key properties of trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide?
trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide has a molecular weight of 277.07 g/mol, XLogP of 2.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide is sourced from PubChem (CID 103180900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).