CID 175631289

C8H3BF4O2 — CID 175631289

IUPAC—
SMILES[B]c1cc(C(=O)O)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C8H3BF4O2/c9-3-1-4(7(14)15)6(10)5(2-3)8(11,12)13/h1-2H,(H,14,15)
InChIKeyFAHKOXXQRHKZMN-UHFFFAOYSA-N
MW217.91 g/mol
LogP1.34
Rot. Bonds1

About CID 175631289

CID 175631289 (PubChem CID 175631289) has the molecular formula C8H3BF4O2 and a molecular weight of 217.91 g/mol.

Molecular Properties

Compound NameCID 175631289
PubChem CID175631289
Molecular FormulaC8H3BF4O2
Molecular Weight217.91 g/mol
Exact Mass218.02
IUPAC Name—
SMILES[B]c1cc(C(=O)O)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C8H3BF4O2/c9-3-1-4(7(14)15)6(10)5(2-3)8(11,12)13/h1-2H,(H,14,15)
InChIKeyFAHKOXXQRHKZMN-UHFFFAOYSA-N
XLogP1.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.91
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-(trifluoromethyl)pyridine-3-carboxylic acid
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4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
3-chloro-2-fluoro-4-(trifluoromethyl)benzoic acid
CID 86277703
CID 172631320
CID 172631320
2-bromo-4,5-bis(trifluoromethyl)benzoic acid
CID 118801484
6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118825978
CID 144826578
CID 144826578
5-fluoro-4-formyl-2-(trifluoromethyl)benzoic acid
CID 164892479
4-[4-carboxy-2,6-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzoic acid
CID 59002552
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
5-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 69242850
3-bromo-2,4,5-trifluorobenzoic acid
CID 2783246

Frequently Asked Questions

What is the IUPAC name of CID 175631289?
The IUPAC name of CID 175631289 (CID 175631289) is not available.
What is the SMILES notation for CID 175631289?
The canonical SMILES for CID 175631289 is [B]c1cc(C(=O)O)c(F)c(C(F)(F)F)c1.
What is the InChIKey of CID 175631289?
The InChIKey is FAHKOXXQRHKZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BF4O2/c9-3-1-4(7(14)15)6(10)5(2-3)8(11,12)13/h1-2H,(H,14,15).
What are the key properties of CID 175631289?
CID 175631289 has a molecular weight of 217.91 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175631289 is sourced from PubChem (CID 175631289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).