CID 175374084

C7H5BF2O — CID 175374084

IUPAC—
SMILES[B]COc1cccc(F)c1F
InChIInChI=1S/C7H5BF2O/c8-4-11-6-3-1-2-5(9)7(6)10/h1-3H,4H2
InChIKeyZQDJTWUHQZXPIV-UHFFFAOYSA-N
MW153.92 g/mol
LogP1.47
Rot. Bonds2

About CID 175374084

CID 175374084 (PubChem CID 175374084) has the molecular formula C7H5BF2O and a molecular weight of 153.92 g/mol.

Molecular Properties

Compound NameCID 175374084
PubChem CID175374084
Molecular FormulaC7H5BF2O
Molecular Weight153.92 g/mol
Exact Mass154.04
IUPAC Name—
SMILES[B]COc1cccc(F)c1F
InChIInChI=1S/C7H5BF2O/c8-4-11-6-3-1-2-5(9)7(6)10/h1-3H,4H2
InChIKeyZQDJTWUHQZXPIV-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
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-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
4-(2,3-difluorophenoxy)butoxyphosphane
CID 59036591
1,2-difluoro-3-(3-methoxybutoxy)benzene
CID 90941481
1,2-difluoro-3-(2-methylsulfanylethoxy)benzene
CID 103907571
1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene
CID 130719015
1-dodecoxy-2,3-difluorobenzene
CID 15854521
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
4-[(2,3-difluorophenoxy)methyl]benzonitrile
CID 63036941
1,2-difluoro-3-pent-4-ynoxybenzene
CID 115871030

Frequently Asked Questions

What is the IUPAC name of CID 175374084?
The IUPAC name of CID 175374084 (CID 175374084) is not available.
What is the SMILES notation for CID 175374084?
The canonical SMILES for CID 175374084 is [B]COc1cccc(F)c1F.
What is the InChIKey of CID 175374084?
The InChIKey is ZQDJTWUHQZXPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BF2O/c8-4-11-6-3-1-2-5(9)7(6)10/h1-3H,4H2.
What are the key properties of CID 175374084?
CID 175374084 has a molecular weight of 153.92 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175374084 is sourced from PubChem (CID 175374084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).