CID 88914851

C16H13BFNO — CID 88914851

IUPAC—
SMILES[B]c1cc(C)c2c(c1)CN(Cc1cccc(F)c1)C2=O
InChIInChI=1S/C16H13BFNO/c1-10-5-13(17)7-12-9-19(16(20)15(10)12)8-11-3-2-4-14(18)6-11/h2-7H,8-9H2,1H3
InChIKeyMWNLXBPGIGOEBY-UHFFFAOYSA-N
MW265.10 g/mol
LogP2.08
Rot. Bonds2

About CID 88914851

CID 88914851 (PubChem CID 88914851) has the molecular formula C16H13BFNO and a molecular weight of 265.10 g/mol.

Molecular Properties

Compound NameCID 88914851
PubChem CID88914851
Molecular FormulaC16H13BFNO
Molecular Weight265.10 g/mol
Exact Mass265.11
IUPAC Name—
SMILES[B]c1cc(C)c2c(c1)CN(Cc1cccc(F)c1)C2=O
InChIInChI=1S/C16H13BFNO/c1-10-5-13(17)7-12-9-19(16(20)15(10)12)8-11-3-2-4-14(18)6-11/h2-7H,8-9H2,1H3
InChIKeyMWNLXBPGIGOEBY-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-bromo-6-[(3-fluorophenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;carbon dioxide
CID 167709394
2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one
CID 59512231
2-benzyl-6-fluoro-3-oxo-1H-isoindole-4-carbonitrile;ethane
CID 90802356
2-[(4-chlorophenyl)methyl]-5-methoxy-7-methyl-3H-isoindol-1-one
CID 70315451
2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-7-methyl-3H-isoindol-1-one
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7-[(3-fluorophenyl)methyl]-5,6-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
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5-[(benzylamino)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 11539451
7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 70327949
1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione
CID 61146711
1-[(3-fluorophenyl)methyl]-6-methyl-2H-pyridin-4-ol
CID 141203487

Frequently Asked Questions

What is the IUPAC name of CID 88914851?
The IUPAC name of CID 88914851 (CID 88914851) is not available.
What is the SMILES notation for CID 88914851?
The canonical SMILES for CID 88914851 is [B]c1cc(C)c2c(c1)CN(Cc1cccc(F)c1)C2=O.
What is the InChIKey of CID 88914851?
The InChIKey is MWNLXBPGIGOEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BFNO/c1-10-5-13(17)7-12-9-19(16(20)15(10)12)8-11-3-2-4-14(18)6-11/h2-7H,8-9H2,1H3.
What are the key properties of CID 88914851?
CID 88914851 has a molecular weight of 265.10 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88914851 is sourced from PubChem (CID 88914851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).