CID 169173770

C6H10BFO2 — CID 169173770

IUPAC—
SMILES[B]C1OC(C)(C)C(O)C1F
InChIInChI=1S/C6H10BFO2/c1-6(2)4(9)3(8)5(7)10-6/h3-5,9H,1-2H3
InChIKeyDCBDTDJNOJJSOB-UHFFFAOYSA-N
MW143.95 g/mol
LogP-0.01
Rot. Bonds

About CID 169173770

CID 169173770 (PubChem CID 169173770) has the molecular formula C6H10BFO2 and a molecular weight of 143.95 g/mol.

Molecular Properties

Compound NameCID 169173770
PubChem CID169173770
Molecular FormulaC6H10BFO2
Molecular Weight143.95 g/mol
Exact Mass144.08
IUPAC Name—
SMILES[B]C1OC(C)(C)C(O)C1F
InChIInChI=1S/C6H10BFO2/c1-6(2)4(9)3(8)5(7)10-6/h3-5,9H,1-2H3
InChIKeyDCBDTDJNOJJSOB-UHFFFAOYSA-N
XLogP-0.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.95
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 169173770?
The IUPAC name of CID 169173770 (CID 169173770) is not available.
What is the SMILES notation for CID 169173770?
The canonical SMILES for CID 169173770 is [B]C1OC(C)(C)C(O)C1F.
What is the InChIKey of CID 169173770?
The InChIKey is DCBDTDJNOJJSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BFO2/c1-6(2)4(9)3(8)5(7)10-6/h3-5,9H,1-2H3.
What are the key properties of CID 169173770?
CID 169173770 has a molecular weight of 143.95 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169173770 is sourced from PubChem (CID 169173770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).