CID 90347966

C7H12BFO — CID 90347966

IUPAC—
SMILES[3H]C[C@H]1O[C@@H]([B])[C@](C)(F)[C@@H]1C
InChIInChI=1S/C7H12BFO/c1-4-5(2)10-6(8)7(4,3)9/h4-6H,1-3H3/t4-,5-,6-,7-/m1/s1/i2T
InChIKeyHAFYKARTSROICV-OVNNLUQKSA-N
MW143.99 g/mol
LogP1.26
Rot. Bonds1

About CID 90347966

CID 90347966 (PubChem CID 90347966) has the molecular formula C7H12BFO and a molecular weight of 143.99 g/mol.

Molecular Properties

Compound NameCID 90347966
PubChem CID90347966
Molecular FormulaC7H12BFO
Molecular Weight143.99 g/mol
Exact Mass144.10
IUPAC Name—
SMILES[3H]C[C@H]1O[C@@H]([B])[C@](C)(F)[C@@H]1C
InChIInChI=1S/C7H12BFO/c1-4-5(2)10-6(8)7(4,3)9/h4-6H,1-3H3/t4-,5-,6-,7-/m1/s1/i2T
InChIKeyHAFYKARTSROICV-OVNNLUQKSA-N
XLogP1.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.99
LogP ≤ 51.26
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 90347966?
The IUPAC name of CID 90347966 (CID 90347966) is not available.
What is the SMILES notation for CID 90347966?
The canonical SMILES for CID 90347966 is [3H]C[C@H]1O[C@@H]([B])[C@](C)(F)[C@@H]1C.
What is the InChIKey of CID 90347966?
The InChIKey is HAFYKARTSROICV-OVNNLUQKSA-N. The full InChI is InChI=1S/C7H12BFO/c1-4-5(2)10-6(8)7(4,3)9/h4-6H,1-3H3/t4-,5-,6-,7-/m1/s1/i2T.
What are the key properties of CID 90347966?
CID 90347966 has a molecular weight of 143.99 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90347966 is sourced from PubChem (CID 90347966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).