CID 161391832

C14H9BiF3O — CID 161391832

IUPAC—
SMILESO=C(c1ccccc1)c1ccc(C(F)(F)F)cc1.[Bi]
InChIInChI=1S/C14H9F3O.Bi/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10;/h1-9H;
InChIKeyVTBYSNKFMZLFDF-UHFFFAOYSA-N
MW459.20 g/mol
LogP3.56
Rot. Bonds2

About CID 161391832

CID 161391832 (PubChem CID 161391832) has the molecular formula C14H9BiF3O and a molecular weight of 459.20 g/mol.

Molecular Properties

Compound NameCID 161391832
PubChem CID161391832
Molecular FormulaC14H9BiF3O
Molecular Weight459.20 g/mol
Exact Mass459.04
IUPAC Name—
SMILESO=C(c1ccccc1)c1ccc(C(F)(F)F)cc1.[Bi]
InChIInChI=1S/C14H9F3O.Bi/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10;/h1-9H;
InChIKeyVTBYSNKFMZLFDF-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.20
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
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CID 101352816
CID 101352816
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
CID 175394574
CID 175394574
(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 57261811
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
diphenylmethanone
CID 3102
(2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970696
[4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone
CID 12666774
[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone
CID 62789591
(3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970678

Frequently Asked Questions

What is the IUPAC name of CID 161391832?
The IUPAC name of CID 161391832 (CID 161391832) is not available.
What is the SMILES notation for CID 161391832?
The canonical SMILES for CID 161391832 is O=C(c1ccccc1)c1ccc(C(F)(F)F)cc1.[Bi].
What is the InChIKey of CID 161391832?
The InChIKey is VTBYSNKFMZLFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O.Bi/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10;/h1-9H;.
What are the key properties of CID 161391832?
CID 161391832 has a molecular weight of 459.20 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161391832 is sourced from PubChem (CID 161391832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).