trifluoro-(3-propoxyphenyl)boranuide

C9H11BF3O- — CID 63676814

IUPACtrifluoro-(3-propoxyphenyl)boranuide
SMILESCCCOc1cccc([B-](F)(F)F)c1
InChIInChI=1S/C9H11BF3O/c1-2-6-14-9-5-3-4-8(7-9)10(11,12)13/h3-5,7H,2,6H2,1H3/q-1
InChIKeyCHUDDFMIWFFNJC-UHFFFAOYSA-N
MW202.99 g/mol
LogP2.53
Rot. Bonds4

About trifluoro-(3-propoxyphenyl)boranuide

trifluoro-(3-propoxyphenyl)boranuide (PubChem CID 63676814) has the molecular formula C9H11BF3O- and a molecular weight of 202.99 g/mol. Its IUPAC name is trifluoro-(3-propoxyphenyl)boranuide.

Molecular Properties

Compound Nametrifluoro-(3-propoxyphenyl)boranuide
PubChem CID63676814
Molecular FormulaC9H11BF3O-
Molecular Weight202.99 g/mol
Exact Mass203.09
IUPAC Nametrifluoro-(3-propoxyphenyl)boranuide
SMILESCCCOc1cccc([B-](F)(F)F)c1
InChIInChI=1S/C9H11BF3O/c1-2-6-14-9-5-3-4-8(7-9)10(11,12)13/h3-5,7H,2,6H2,1H3/q-1
InChIKeyCHUDDFMIWFFNJC-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.99
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trifluoro-(3-propoxyphenyl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium (3-butoxyphenyl)-trifluoroboranuide
CID 63678259
potassium trifluoro-(3-pentoxyphenyl)boranuide
CID 63676807
[3-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63675848
potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide
CID 114525782
potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide
CID 65369936
trifluoro-[3-[2-(3-methoxypropoxy)ethoxy]phenyl]boranuide
CID 103180900
(3-propoxyphenyl)borane
CID 137330417
potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63678267
trifluoro-[(4-propoxyphenoxy)methyl]boranuide
CID 63701544
ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501
2-(3-propoxyphenoxy)acetaldehyde
CID 158555885
azane;propoxybenzene
CID 66667480

Frequently Asked Questions

What is the IUPAC name of trifluoro-(3-propoxyphenyl)boranuide?
The IUPAC name of trifluoro-(3-propoxyphenyl)boranuide (CID 63676814) is trifluoro-(3-propoxyphenyl)boranuide.
What is the SMILES notation for trifluoro-(3-propoxyphenyl)boranuide?
The canonical SMILES for trifluoro-(3-propoxyphenyl)boranuide is CCCOc1cccc([B-](F)(F)F)c1.
What is the InChIKey of trifluoro-(3-propoxyphenyl)boranuide?
The InChIKey is CHUDDFMIWFFNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BF3O/c1-2-6-14-9-5-3-4-8(7-9)10(11,12)13/h3-5,7H,2,6H2,1H3/q-1.
What are the key properties of trifluoro-(3-propoxyphenyl)boranuide?
trifluoro-(3-propoxyphenyl)boranuide has a molecular weight of 202.99 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(3-propoxyphenyl)boranuide is sourced from PubChem (CID 63676814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).