CID 155784312

C11H22BFNO4P — CID 155784312

IUPAC—
SMILES[B][C@@H]1O[C@H](CC(C)C)[C@H](NP(=O)(O)OC(C)C)C1F
InChIInChI=1S/C11H22BFNO4P/c1-6(2)5-8-10(9(13)11(12)17-8)14-19(15,16)18-7(3)4/h6-11H,5H2,1-4H3,(H2,14,15,16)/t8-,9?,10+,11-/m1/s1
InChIKeyVMCQSKOTJZBVOQ-TVTJGUELSA-N
MW293.08 g/mol
LogP1.75
Rot. Bonds6

About CID 155784312

CID 155784312 (PubChem CID 155784312) has the molecular formula C11H22BFNO4P and a molecular weight of 293.08 g/mol.

Molecular Properties

Compound NameCID 155784312
PubChem CID155784312
Molecular FormulaC11H22BFNO4P
Molecular Weight293.08 g/mol
Exact Mass293.14
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CC(C)C)[C@H](NP(=O)(O)OC(C)C)C1F
InChIInChI=1S/C11H22BFNO4P/c1-6(2)5-8-10(9(13)11(12)17-8)14-19(15,16)18-7(3)4/h6-11H,5H2,1-4H3,(H2,14,15,16)/t8-,9?,10+,11-/m1/s1
InChIKeyVMCQSKOTJZBVOQ-TVTJGUELSA-N
XLogP1.75
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid
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4-chlorobutan-2-yl dihydrogen phosphate
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2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(2-methylpropyl)oxan-2-yl]ethylphosphonic acid
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dipropan-2-yl hydrogen phosphate;N-methylmethanamine
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Frequently Asked Questions

What is the IUPAC name of CID 155784312?
The IUPAC name of CID 155784312 (CID 155784312) is not available.
What is the SMILES notation for CID 155784312?
The canonical SMILES for CID 155784312 is [B][C@@H]1O[C@H](CC(C)C)[C@H](NP(=O)(O)OC(C)C)C1F.
What is the InChIKey of CID 155784312?
The InChIKey is VMCQSKOTJZBVOQ-TVTJGUELSA-N. The full InChI is InChI=1S/C11H22BFNO4P/c1-6(2)5-8-10(9(13)11(12)17-8)14-19(15,16)18-7(3)4/h6-11H,5H2,1-4H3,(H2,14,15,16)/t8-,9?,10+,11-/m1/s1.
What are the key properties of CID 155784312?
CID 155784312 has a molecular weight of 293.08 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155784312 is sourced from PubChem (CID 155784312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).