CID 88952365

C7H3BF4 — CID 88952365

IUPAC—
SMILES[B]c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C7H3BF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChIKeyAYNAOPYJHXNYMW-UHFFFAOYSA-N
MW173.91 g/mol
LogP1.64
Rot. Bonds

About CID 88952365

CID 88952365 (PubChem CID 88952365) has the molecular formula C7H3BF4 and a molecular weight of 173.91 g/mol.

Molecular Properties

Compound NameCID 88952365
PubChem CID88952365
Molecular FormulaC7H3BF4
Molecular Weight173.91 g/mol
Exact Mass174.03
IUPAC Name—
SMILES[B]c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C7H3BF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChIKeyAYNAOPYJHXNYMW-UHFFFAOYSA-N
XLogP1.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.91
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-(trifluoromethyl)benzenediazonium
CID 57283257
potassium 4-fluoro-3-(trifluoromethyl)phenolate
CID 23697190
CID 145008308
CID 145008308
[4-fluoro-3-(trifluoromethyl)phenyl]hydrazine
CID 2774812
[4-fluoro-3-(trifluoromethyl)anilino]azanium chloride
CID 2774811
4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 125457222
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
4-fluoro-3-(trifluoromethyl)benzenecarbothioamide
CID 82677739
1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene
CID 71056767
1-fluoro-4-prop-1-enyl-2-(trifluoromethyl)benzene
CID 173058439
[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite
CID 144961841
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666

Frequently Asked Questions

What is the IUPAC name of CID 88952365?
The IUPAC name of CID 88952365 (CID 88952365) is not available.
What is the SMILES notation for CID 88952365?
The canonical SMILES for CID 88952365 is [B]c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of CID 88952365?
The InChIKey is AYNAOPYJHXNYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H.
What are the key properties of CID 88952365?
CID 88952365 has a molecular weight of 173.91 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88952365 is sourced from PubChem (CID 88952365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).