CID 151897513

C7H5BF2O — CID 151897513

IUPAC—
SMILES[B]c1ccc(F)c(F)c1OC
InChIInChI=1S/C7H5BF2O/c1-11-7-4(8)2-3-5(9)6(7)10/h2-3H,1H3
InChIKeySSBAEPHLRKKJHN-UHFFFAOYSA-N
MW153.92 g/mol
LogP0.77
Rot. Bonds1

About CID 151897513

CID 151897513 (PubChem CID 151897513) has the molecular formula C7H5BF2O and a molecular weight of 153.92 g/mol.

Molecular Properties

Compound NameCID 151897513
PubChem CID151897513
Molecular FormulaC7H5BF2O
Molecular Weight153.92 g/mol
Exact Mass154.04
IUPAC Name—
SMILES[B]c1ccc(F)c(F)c1OC
InChIInChI=1S/C7H5BF2O/c1-11-7-4(8)2-3-5(9)6(7)10/h2-3H,1H3
InChIKeySSBAEPHLRKKJHN-UHFFFAOYSA-N
XLogP0.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.92
LogP ≤ 50.77
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

1,2-difluoro-3,4-dimethoxybenzene
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1,2-difluoro-3-methoxy-4-propan-2-ylbenzene
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butane;1,2-difluoro-3-methoxy-4-methylbenzene
CID 166159976
(3,4-difluoro-2-methoxyphenyl)-methoxyborinic acid
CID 145222116
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
3,4-difluoro-2-methoxy-N-(1-methoxycyclopropyl)aniline
CID 11322155
1-(3,6-difluoro-2-methoxyphenyl)ethanol
CID 84661307
1,2,4-trifluoro-3,5-dimethoxybenzene
CID 10535733
1,2,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 166607816
1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
2,4-difluoro-3-methoxybenzonitrile
CID 3862763

Frequently Asked Questions

What is the IUPAC name of CID 151897513?
The IUPAC name of CID 151897513 (CID 151897513) is not available.
What is the SMILES notation for CID 151897513?
The canonical SMILES for CID 151897513 is [B]c1ccc(F)c(F)c1OC.
What is the InChIKey of CID 151897513?
The InChIKey is SSBAEPHLRKKJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BF2O/c1-11-7-4(8)2-3-5(9)6(7)10/h2-3H,1H3.
What are the key properties of CID 151897513?
CID 151897513 has a molecular weight of 153.92 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151897513 is sourced from PubChem (CID 151897513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).