CID 89165379

C14H8BF3O3 — CID 89165379

IUPAC—
SMILES[B]c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(C=O)c1
InChIInChI=1S/C14H8BF3O3/c15-10-1-6-13(9(7-10)8-19)20-11-2-4-12(5-3-11)21-14(16,17)18/h1-8H
InChIKeyUDDSEFGBWOERAO-UHFFFAOYSA-N
MW292.02 g/mol
LogP2.98
Rot. Bonds4

About CID 89165379

CID 89165379 (PubChem CID 89165379) has the molecular formula C14H8BF3O3 and a molecular weight of 292.02 g/mol.

Molecular Properties

Compound NameCID 89165379
PubChem CID89165379
Molecular FormulaC14H8BF3O3
Molecular Weight292.02 g/mol
Exact Mass292.05
IUPAC Name—
SMILES[B]c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(C=O)c1
InChIInChI=1S/C14H8BF3O3/c15-10-1-6-13(9(7-10)8-19)20-11-2-4-12(5-3-11)21-14(16,17)18/h1-8H
InChIKeyUDDSEFGBWOERAO-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.02
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 178055088
CID 178055088
2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde
CID 58007717
2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)anilino]benzaldehyde
CID 58008239
2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzaldehyde
CID 154643775
2-[(4-chlorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 58007960
2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
2-nitro-5-(trifluoromethoxy)benzaldehyde
CID 162535108
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
CID 134627713
5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 58007781
5-fluoro-2-[4-(4,4,4-trifluorobutoxy)phenoxy]benzaldehyde
CID 126636242
5-methylsulfonyl-2-[4-(trifluoromethoxy)phenoxy]aniline
CID 167530156
4-iodo-2-nitro-1-[4-(trifluoromethoxy)phenoxy]benzene
CID 121004215

Frequently Asked Questions

What is the IUPAC name of CID 89165379?
The IUPAC name of CID 89165379 (CID 89165379) is not available.
What is the SMILES notation for CID 89165379?
The canonical SMILES for CID 89165379 is [B]c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(C=O)c1.
What is the InChIKey of CID 89165379?
The InChIKey is UDDSEFGBWOERAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BF3O3/c15-10-1-6-13(9(7-10)8-19)20-11-2-4-12(5-3-11)21-14(16,17)18/h1-8H.
What are the key properties of CID 89165379?
CID 89165379 has a molecular weight of 292.02 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89165379 is sourced from PubChem (CID 89165379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).