CID 151907169

C14H8BF6O2 — CID 151907169

IUPAC—
SMILESFC(F)(F)c1cc(O[B]Oc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H8BF6O2/c16-13(17,18)9-6-10(14(19,20)21)8-12(7-9)23-15-22-11-4-2-1-3-5-11/h1-8H
InChIKeyKFGVDNQOMHOFQC-UHFFFAOYSA-N
MW333.02 g/mol
LogP4.72
Rot. Bonds4

About CID 151907169

CID 151907169 (PubChem CID 151907169) has the molecular formula C14H8BF6O2 and a molecular weight of 333.02 g/mol.

Molecular Properties

Compound NameCID 151907169
PubChem CID151907169
Molecular FormulaC14H8BF6O2
Molecular Weight333.02 g/mol
Exact Mass333.05
IUPAC Name—
SMILESFC(F)(F)c1cc(O[B]Oc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H8BF6O2/c16-13(17,18)9-6-10(14(19,20)21)8-12(7-9)23-15-22-11-4-2-1-3-5-11/h1-8H
InChIKeyKFGVDNQOMHOFQC-UHFFFAOYSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 151907169 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,5-bis(trifluoromethyl)phenoxy]aniline
CID 158887487
3-phenoxy-5-(trifluoromethyl)phenol
CID 66883076
CID 59626106
CID 59626106
1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene
CID 18994644
O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine
CID 88700648
CID 89104061
CID 89104061
2-[3,5-bis(trifluoromethyl)phenoxy]pyridine
CID 90899440
CID 87363082
CID 87363082
CID 54190272
CID 54190272
CID 89284542
CID 89284542
1-benzyl-3,5-bis(trifluoromethyl)benzene
CID 11993967
trifluoromethylbenzene;dihydrochloride
CID 171928889

Frequently Asked Questions

What is the IUPAC name of CID 151907169?
The IUPAC name of CID 151907169 (CID 151907169) is not available.
What is the SMILES notation for CID 151907169?
The canonical SMILES for CID 151907169 is FC(F)(F)c1cc(O[B]Oc2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of CID 151907169?
The InChIKey is KFGVDNQOMHOFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BF6O2/c16-13(17,18)9-6-10(14(19,20)21)8-12(7-9)23-15-22-11-4-2-1-3-5-11/h1-8H.
What are the key properties of CID 151907169?
CID 151907169 has a molecular weight of 333.02 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151907169 is sourced from PubChem (CID 151907169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).