CID 162607291

C15H18B2F2O2 — CID 162607291

IUPAC—
SMILES[B]c1ccc(C(CB2OC(C)(C)C(C)(C)O2)=C(F)F)cc1
InChIInChI=1S/C15H18B2F2O2/c1-14(2)15(3,4)21-17(20-14)9-12(13(18)19)10-5-7-11(16)8-6-10/h5-8H,9H2,1-4H3
InChIKeyVAMVHDRMXBDFCX-UHFFFAOYSA-N
MW289.93 g/mol
LogP3.18
Rot. Bonds3

About CID 162607291

CID 162607291 (PubChem CID 162607291) has the molecular formula C15H18B2F2O2 and a molecular weight of 289.93 g/mol.

Molecular Properties

Compound NameCID 162607291
PubChem CID162607291
Molecular FormulaC15H18B2F2O2
Molecular Weight289.93 g/mol
Exact Mass290.15
IUPAC Name—
SMILES[B]c1ccc(C(CB2OC(C)(C)C(C)(C)O2)=C(F)F)cc1
InChIInChI=1S/C15H18B2F2O2/c1-14(2)15(3,4)21-17(20-14)9-12(13(18)19)10-5-7-11(16)8-6-10/h5-8H,9H2,1-4H3
InChIKeyVAMVHDRMXBDFCX-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.93
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-[2-(4-tert-butylphenyl)-5-chloro-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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CID 171112325
5-fluoro-4-(4-propan-2-ylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoic acid
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4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-1,3,2-dioxaborolane
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4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
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Frequently Asked Questions

What is the IUPAC name of CID 162607291?
The IUPAC name of CID 162607291 (CID 162607291) is not available.
What is the SMILES notation for CID 162607291?
The canonical SMILES for CID 162607291 is [B]c1ccc(C(CB2OC(C)(C)C(C)(C)O2)=C(F)F)cc1.
What is the InChIKey of CID 162607291?
The InChIKey is VAMVHDRMXBDFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18B2F2O2/c1-14(2)15(3,4)21-17(20-14)9-12(13(18)19)10-5-7-11(16)8-6-10/h5-8H,9H2,1-4H3.
What are the key properties of CID 162607291?
CID 162607291 has a molecular weight of 289.93 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162607291 is sourced from PubChem (CID 162607291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).