boric acid;1-fluoro-N,N-dimethylmethanamine

C3H11BFNO3 — CID 174894478

IUPACboric acid;1-fluoro-N,N-dimethylmethanamine
SMILESCN(C)CF.OB(O)O
InChIInChI=1S/C3H8FN.BH3O3/c1-5(2)3-4;2-1(3)4/h3H2,1-2H3;2-4H
InChIKeyOZNSSTYXAUTCIH-UHFFFAOYSA-N
MW138.94 g/mol
LogP-1.58
Rot. Bonds1

About boric acid;1-fluoro-N,N-dimethylmethanamine

boric acid;1-fluoro-N,N-dimethylmethanamine (PubChem CID 174894478) has the molecular formula C3H11BFNO3 and a molecular weight of 138.94 g/mol. Its IUPAC name is boric acid;1-fluoro-N,N-dimethylmethanamine.

Molecular Properties

Compound Nameboric acid;1-fluoro-N,N-dimethylmethanamine
PubChem CID174894478
Molecular FormulaC3H11BFNO3
Molecular Weight138.94 g/mol
Exact Mass139.08
IUPAC Nameboric acid;1-fluoro-N,N-dimethylmethanamine
SMILESCN(C)CF.OB(O)O
InChIInChI=1S/C3H8FN.BH3O3/c1-5(2)3-4;2-1(3)4/h3H2,1-2H3;2-4H
InChIKeyOZNSSTYXAUTCIH-UHFFFAOYSA-N
XLogP-1.58
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.94
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of boric acid;1-fluoro-N,N-dimethylmethanamine?
The IUPAC name of boric acid;1-fluoro-N,N-dimethylmethanamine (CID 174894478) is boric acid;1-fluoro-N,N-dimethylmethanamine.
What is the SMILES notation for boric acid;1-fluoro-N,N-dimethylmethanamine?
The canonical SMILES for boric acid;1-fluoro-N,N-dimethylmethanamine is CN(C)CF.OB(O)O.
What is the InChIKey of boric acid;1-fluoro-N,N-dimethylmethanamine?
The InChIKey is OZNSSTYXAUTCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FN.BH3O3/c1-5(2)3-4;2-1(3)4/h3H2,1-2H3;2-4H.
What are the key properties of boric acid;1-fluoro-N,N-dimethylmethanamine?
boric acid;1-fluoro-N,N-dimethylmethanamine has a molecular weight of 138.94 g/mol, XLogP of -1.58, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;1-fluoro-N,N-dimethylmethanamine is sourced from PubChem (CID 174894478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).