trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide

C9H15BF3O- — CID 167716797

IUPACtrifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide
SMILESOC1CC([B-](F)(F)F)C12CCCCC2
InChIInChI=1S/C9H15BF3O/c11-10(12,13)7-6-8(14)9(7)4-2-1-3-5-9/h7-8,14H,1-6H2/q-1
InChIKeyKARDMDMZJMQOLE-UHFFFAOYSA-N
MW207.02 g/mol
LogP2.92
Rot. Bonds1

About trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide

trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide (PubChem CID 167716797) has the molecular formula C9H15BF3O- and a molecular weight of 207.02 g/mol. Its IUPAC name is trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide
PubChem CID167716797
Molecular FormulaC9H15BF3O-
Molecular Weight207.02 g/mol
Exact Mass207.12
IUPAC Nametrifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide
SMILESOC1CC([B-](F)(F)F)C12CCCCC2
InChIInChI=1S/C9H15BF3O/c11-10(12,13)7-6-8(14)9(7)4-2-1-3-5-9/h7-8,14H,1-6H2/q-1
InChIKeyKARDMDMZJMQOLE-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Spiro(3.5)nonan-2-ol
CID 80361357
Spiro[3.5]nonan-1-OL
CID 71744115
7,7-Difluorospiro[3.5]nonan-2-ol
CID 155822563
2,2-Difluorospiro[3.5]nonan-7-ol
CID 168024226
7,7-Difluorospiro[3.5]nonan-1-ol
CID 177815032
(1S)-Spiro[3.5]nonan-1beta-ol
CID 15311211
(3R)-spiro[3.5]nonan-3-ol
CID 97298269
Potassium trifluoro({3-hydroxyspiro[3.5]nonan-1-yl})boranuide
CID 167716796
{3-Hydroxyspiro[3.5]nonan-1-yl}boronic acid
CID 167742390

Frequently Asked Questions

What is the IUPAC name of trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide?
The IUPAC name of trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide (CID 167716797) is trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide.
What is the SMILES notation for trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide?
The canonical SMILES for trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide is OC1CC([B-](F)(F)F)C12CCCCC2.
What is the InChIKey of trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide?
The InChIKey is KARDMDMZJMQOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BF3O/c11-10(12,13)7-6-8(14)9(7)4-2-1-3-5-9/h7-8,14H,1-6H2/q-1.
What are the key properties of trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide?
trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide has a molecular weight of 207.02 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(3-hydroxyspiro[3.5]nonan-1-yl)boranuide is sourced from PubChem (CID 167716797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).