CID 162409336

C14H10BFO2 — CID 162409336

IUPAC—
SMILES[B][C@@H](C(=O)Oc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H10BFO2/c15-13(10-4-2-1-3-5-10)14(17)18-12-8-6-11(16)7-9-12/h1-9,13H/t13-/m1/s1
InChIKeyCDHDNBLOAFSYGL-CYBMUJFWSA-N
MW240.04 g/mol
LogP2.64
Rot. Bonds3

About CID 162409336

CID 162409336 (PubChem CID 162409336) has the molecular formula C14H10BFO2 and a molecular weight of 240.04 g/mol.

Molecular Properties

Compound NameCID 162409336
PubChem CID162409336
Molecular FormulaC14H10BFO2
Molecular Weight240.04 g/mol
Exact Mass240.08
IUPAC Name—
SMILES[B][C@@H](C(=O)Oc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H10BFO2/c15-13(10-4-2-1-3-5-10)14(17)18-12-8-6-11(16)7-9-12/h1-9,13H/t13-/m1/s1
InChIKeyCDHDNBLOAFSYGL-CYBMUJFWSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl) phenyl carbonate
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(4-fluorophenyl) 4-benzoyloxybenzoate
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(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
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diphenyl 2-(3-fluorophenyl)propanedioate
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phenyl (2R)-2-hydroxy-2-phenylacetate
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(4-fluorophenyl) 2-(2-fluorophenoxy)propanoate
CID 3324699
CID 134949102
CID 134949102
2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
CID 89318743
CID 89318743
(4-fluorophenyl) (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate
CID 102398759
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
4-(4-fluorobenzoyl)oxybenzoic acid
CID 54854967

Frequently Asked Questions

What is the IUPAC name of CID 162409336?
The IUPAC name of CID 162409336 (CID 162409336) is not available.
What is the SMILES notation for CID 162409336?
The canonical SMILES for CID 162409336 is [B][C@@H](C(=O)Oc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of CID 162409336?
The InChIKey is CDHDNBLOAFSYGL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H10BFO2/c15-13(10-4-2-1-3-5-10)14(17)18-12-8-6-11(16)7-9-12/h1-9,13H/t13-/m1/s1.
What are the key properties of CID 162409336?
CID 162409336 has a molecular weight of 240.04 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162409336 is sourced from PubChem (CID 162409336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).