CID 161362597

C12H22BFO3 — CID 161362597

IUPAC—
SMILES[B][C@]1(F)O[C@H](COC(C)C)C(OC(C)C)[C@@H]1C
InChIInChI=1S/C12H22BFO3/c1-7(2)15-6-10-11(16-8(3)4)9(5)12(13,14)17-10/h7-11H,6H2,1-5H3/t9-,10+,11?,12+/m0/s1
InChIKeyODISEJPAXCGHIQ-MATVZRDGSA-N
MW244.11 g/mol
LogP2.03
Rot. Bonds5

About CID 161362597

CID 161362597 (PubChem CID 161362597) has the molecular formula C12H22BFO3 and a molecular weight of 244.11 g/mol.

Molecular Properties

Compound NameCID 161362597
PubChem CID161362597
Molecular FormulaC12H22BFO3
Molecular Weight244.11 g/mol
Exact Mass244.16
IUPAC Name—
SMILES[B][C@]1(F)O[C@H](COC(C)C)C(OC(C)C)[C@@H]1C
InChIInChI=1S/C12H22BFO3/c1-7(2)15-6-10-11(16-8(3)4)9(5)12(13,14)17-10/h7-11H,6H2,1-5H3/t9-,10+,11?,12+/m0/s1
InChIKeyODISEJPAXCGHIQ-MATVZRDGSA-N
XLogP2.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-Fluoro-5-(methoxymethyl)-3-methyloxolane
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CID 161362598
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Frequently Asked Questions

What is the IUPAC name of CID 161362597?
The IUPAC name of CID 161362597 (CID 161362597) is not available.
What is the SMILES notation for CID 161362597?
The canonical SMILES for CID 161362597 is [B][C@]1(F)O[C@H](COC(C)C)C(OC(C)C)[C@@H]1C.
What is the InChIKey of CID 161362597?
The InChIKey is ODISEJPAXCGHIQ-MATVZRDGSA-N. The full InChI is InChI=1S/C12H22BFO3/c1-7(2)15-6-10-11(16-8(3)4)9(5)12(13,14)17-10/h7-11H,6H2,1-5H3/t9-,10+,11?,12+/m0/s1.
What are the key properties of CID 161362597?
CID 161362597 has a molecular weight of 244.11 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161362597 is sourced from PubChem (CID 161362597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).