CID 54190272

C15H10BF6 — CID 54190272

IUPAC—
SMILESFC(F)(F)c1cc([B]Cc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10BF6/c17-14(18,19)11-6-12(15(20,21)22)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyCFMMDAWBCBEAPQ-UHFFFAOYSA-N
MW315.05 g/mol
LogP4.25
Rot. Bonds3

About CID 54190272

CID 54190272 (PubChem CID 54190272) has the molecular formula C15H10BF6 and a molecular weight of 315.05 g/mol.

Molecular Properties

Compound NameCID 54190272
PubChem CID54190272
Molecular FormulaC15H10BF6
Molecular Weight315.05 g/mol
Exact Mass315.08
IUPAC Name—
SMILESFC(F)(F)c1cc([B]Cc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10BF6/c17-14(18,19)11-6-12(15(20,21)22)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyCFMMDAWBCBEAPQ-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.05
LogP ≤ 54.25
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

1-benzyl-3,5-bis(trifluoromethyl)benzene
CID 11993967
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
CID 42776865
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
CID 113341793
CID 67927607
CID 67927607
CID 91350408
CID 91350408
1-(3-phenylprop-2-ynyl)-3,5-bis(trifluoromethyl)benzene
CID 54756772
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxyethenamine
CID 57100784
CID 151907169
CID 151907169
benzyl-[3,5-bis(trifluoromethyl)phenyl]boranuide;[3,5-bis(trifluoromethyl)phenyl]-methylboranuide
CID 123916678
triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium
CID 11114323
phosphane;trifluoromethylbenzene
CID 175486194
trifluoromethylbenzene;dihydrochloride
CID 171928889

Frequently Asked Questions

What is the IUPAC name of CID 54190272?
The IUPAC name of CID 54190272 (CID 54190272) is not available.
What is the SMILES notation for CID 54190272?
The canonical SMILES for CID 54190272 is FC(F)(F)c1cc([B]Cc2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of CID 54190272?
The InChIKey is CFMMDAWBCBEAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BF6/c17-14(18,19)11-6-12(15(20,21)22)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of CID 54190272?
CID 54190272 has a molecular weight of 315.05 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54190272 is sourced from PubChem (CID 54190272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).