CID 88874585

C7H4BFO — CID 88874585

IUPAC—
SMILES[B]c1ccc(C=O)c(F)c1
InChIInChI=1S/C7H4BFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
InChIKeyNSXVJYZGXJQESB-UHFFFAOYSA-N
MW133.92 g/mol
LogP0.43
Rot. Bonds1

About CID 88874585

CID 88874585 (PubChem CID 88874585) has the molecular formula C7H4BFO and a molecular weight of 133.92 g/mol.

Molecular Properties

Compound NameCID 88874585
PubChem CID88874585
Molecular FormulaC7H4BFO
Molecular Weight133.92 g/mol
Exact Mass134.03
IUPAC Name—
SMILES[B]c1ccc(C=O)c(F)c1
InChIInChI=1S/C7H4BFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
InChIKeyNSXVJYZGXJQESB-UHFFFAOYSA-N
XLogP0.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.92
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 145469155
CID 145469155
CID 89029471
CID 89029471
CID 89241470
CID 89241470
4-ethenyl-2-fluorobenzaldehyde
CID 107430174
4,6-difluorobenzene-1,3-dicarbaldehyde
CID 11030259
4-(chloromethyl)-2-fluorobenzaldehyde
CID 91032796
2-fluoro-4-hydrazinylbenzaldehyde
CID 131118767
2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)benzaldehyde
CID 169111091
2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde
CID 63424637
2-fluoro-4-prop-1-en-2-ylbenzaldehyde
CID 88914678
CID 163739827
CID 163739827
4-cyclopropyl-2-fluorobenzaldehyde;ethane
CID 177364762

Frequently Asked Questions

What is the IUPAC name of CID 88874585?
The IUPAC name of CID 88874585 (CID 88874585) is not available.
What is the SMILES notation for CID 88874585?
The canonical SMILES for CID 88874585 is [B]c1ccc(C=O)c(F)c1.
What is the InChIKey of CID 88874585?
The InChIKey is NSXVJYZGXJQESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H.
What are the key properties of CID 88874585?
CID 88874585 has a molecular weight of 133.92 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88874585 is sourced from PubChem (CID 88874585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).