CID 174851641

C2H7BFO — CID 174851641

IUPAC—
SMILESCOC.F.[B]
InChIInChI=1S/C2H6O.B.FH/c1-3-2;;/h1-2H3;;1H
InChIKeyBSMZTUKCFQYVJU-UHFFFAOYSA-N
MW76.89 g/mol
LogP0.03
Rot. Bonds

About CID 174851641

CID 174851641 (PubChem CID 174851641) has the molecular formula C2H7BFO and a molecular weight of 76.89 g/mol.

Molecular Properties

Compound NameCID 174851641
PubChem CID174851641
Molecular FormulaC2H7BFO
Molecular Weight76.89 g/mol
Exact Mass77.06
IUPAC Name—
SMILESCOC.F.[B]
InChIInChI=1S/C2H6O.B.FH/c1-3-2;;/h1-2H3;;1H
InChIKeyBSMZTUKCFQYVJU-UHFFFAOYSA-N
XLogP0.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.89
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174851641?
The IUPAC name of CID 174851641 (CID 174851641) is not available.
What is the SMILES notation for CID 174851641?
The canonical SMILES for CID 174851641 is COC.F.[B].
What is the InChIKey of CID 174851641?
The InChIKey is BSMZTUKCFQYVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.B.FH/c1-3-2;;/h1-2H3;;1H.
What are the key properties of CID 174851641?
CID 174851641 has a molecular weight of 76.89 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174851641 is sourced from PubChem (CID 174851641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).