CID 156815214

C16H13BF3N3O2 — CID 156815214

IUPAC—
SMILES[B]c1ccc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)c(C=O)n1
InChIInChI=1S/C16H13BF3N3O2/c17-14-3-2-13(12(9-24)22-14)23-6-5-11(8-23)25-15-4-1-10(7-21-15)16(18,19)20/h1-4,7,9,11H,5-6,8H2
InChIKeyOUASIFIZHYVYNC-UHFFFAOYSA-N
MW347.11 g/mol
LogP1.76
Rot. Bonds4

About CID 156815214

CID 156815214 (PubChem CID 156815214) has the molecular formula C16H13BF3N3O2 and a molecular weight of 347.11 g/mol.

Molecular Properties

Compound NameCID 156815214
PubChem CID156815214
Molecular FormulaC16H13BF3N3O2
Molecular Weight347.11 g/mol
Exact Mass347.11
IUPAC Name—
SMILES[B]c1ccc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)c(C=O)n1
InChIInChI=1S/C16H13BF3N3O2/c17-14-3-2-13(12(9-24)22-14)23-6-5-11(8-23)25-15-4-1-10(7-21-15)16(18,19)20/h1-4,7,9,11H,5-6,8H2
InChIKeyOUASIFIZHYVYNC-UHFFFAOYSA-N
XLogP1.76
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.11
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(trifluoromethyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 156814447
2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806
2-[(3R)-1-(2-nitrophenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 156815273
(E)-3-[5-bromo-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]prop-2-enoic acid
CID 170313315
4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
CID 133446164
[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
CID 166070002
1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone
CID 133446287
5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 166683158
4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline-2-carbonitrile
CID 133446182
5-phenyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzenesulfonamide
CID 166004444
8-nitro-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]isoquinoline
CID 133446286
3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine
CID 133446213

Frequently Asked Questions

What is the IUPAC name of CID 156815214?
The IUPAC name of CID 156815214 (CID 156815214) is not available.
What is the SMILES notation for CID 156815214?
The canonical SMILES for CID 156815214 is [B]c1ccc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)c(C=O)n1.
What is the InChIKey of CID 156815214?
The InChIKey is OUASIFIZHYVYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BF3N3O2/c17-14-3-2-13(12(9-24)22-14)23-6-5-11(8-23)25-15-4-1-10(7-21-15)16(18,19)20/h1-4,7,9,11H,5-6,8H2.
What are the key properties of CID 156815214?
CID 156815214 has a molecular weight of 347.11 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156815214 is sourced from PubChem (CID 156815214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).