CID 171643489

C7H5BF2O — CID 171643489

IUPAC—
SMILES[B]c1cccc(OC(F)F)c1
InChIInChI=1S/C7H5BF2O/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4,7H
InChIKeyDYBQNFGLRZDEND-UHFFFAOYSA-N
MW153.92 g/mol
LogP1.08
Rot. Bonds2

About CID 171643489

CID 171643489 (PubChem CID 171643489) has the molecular formula C7H5BF2O and a molecular weight of 153.92 g/mol.

Molecular Properties

Compound NameCID 171643489
PubChem CID171643489
Molecular FormulaC7H5BF2O
Molecular Weight153.92 g/mol
Exact Mass154.04
IUPAC Name—
SMILES[B]c1cccc(OC(F)F)c1
InChIInChI=1S/C7H5BF2O/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4,7H
InChIKeyDYBQNFGLRZDEND-UHFFFAOYSA-N
XLogP1.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.92
LogP ≤ 51.08
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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[3-(difluoromethoxy)phenyl]-diphenylsulfanium
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2-[3-(difluoromethoxy)phenyl]ethanamine
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1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene
CID 171472865
difluoromethoxybenzene;ethane
CID 142246454
2-bromo-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 129188057
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
2-[3-(difluoromethoxy)phenyl]acetonitrile
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Frequently Asked Questions

What is the IUPAC name of CID 171643489?
The IUPAC name of CID 171643489 (CID 171643489) is not available.
What is the SMILES notation for CID 171643489?
The canonical SMILES for CID 171643489 is [B]c1cccc(OC(F)F)c1.
What is the InChIKey of CID 171643489?
The InChIKey is DYBQNFGLRZDEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BF2O/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4,7H.
What are the key properties of CID 171643489?
CID 171643489 has a molecular weight of 153.92 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171643489 is sourced from PubChem (CID 171643489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).