CID 158762223

C7H12BFO — CID 158762223

IUPAC—
SMILES[B][C@@H]1OC(CC)C[C@@]1(C)F
InChIInChI=1S/C7H12BFO/c1-3-5-4-7(2,9)6(8)10-5/h5-6H,3-4H2,1-2H3/t5?,6-,7-/m1/s1
InChIKeyRONYHLGCORBZBL-JXBXZBNISA-N
MW141.98 g/mol
LogP1.41
Rot. Bonds1

About CID 158762223

CID 158762223 (PubChem CID 158762223) has the molecular formula C7H12BFO and a molecular weight of 141.98 g/mol.

Molecular Properties

Compound NameCID 158762223
PubChem CID158762223
Molecular FormulaC7H12BFO
Molecular Weight141.98 g/mol
Exact Mass142.10
IUPAC Name—
SMILES[B][C@@H]1OC(CC)C[C@@]1(C)F
InChIInChI=1S/C7H12BFO/c1-3-5-4-7(2,9)6(8)10-5/h5-6H,3-4H2,1-2H3/t5?,6-,7-/m1/s1
InChIKeyRONYHLGCORBZBL-JXBXZBNISA-N
XLogP1.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.98
LogP ≤ 51.41
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 158762223?
The IUPAC name of CID 158762223 (CID 158762223) is not available.
What is the SMILES notation for CID 158762223?
The canonical SMILES for CID 158762223 is [B][C@@H]1OC(CC)C[C@@]1(C)F.
What is the InChIKey of CID 158762223?
The InChIKey is RONYHLGCORBZBL-JXBXZBNISA-N. The full InChI is InChI=1S/C7H12BFO/c1-3-5-4-7(2,9)6(8)10-5/h5-6H,3-4H2,1-2H3/t5?,6-,7-/m1/s1.
What are the key properties of CID 158762223?
CID 158762223 has a molecular weight of 141.98 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158762223 is sourced from PubChem (CID 158762223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).