[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone

C14H6F6O — CID 62789591

IUPAC[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H6F6O/c15-10-5-8(6-11(16)12(10)17)13(21)7-1-3-9(4-2-7)14(18,19)20/h1-6H
InChIKeyAUNXWPVFMSMCQG-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.35
Rot. Bonds2

About [4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone

[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone (PubChem CID 62789591) has the molecular formula C14H6F6O and a molecular weight of 304.19 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone
PubChem CID62789591
Molecular FormulaC14H6F6O
Molecular Weight304.19 g/mol
Exact Mass304.03
IUPAC Name[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H6F6O/c15-10-5-8(6-11(16)12(10)17)13(21)7-1-3-9(4-2-7)14(18,19)20/h1-6H
InChIKeyAUNXWPVFMSMCQG-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
(3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970678
[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 90132438
(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 57261811
(2-fluoro-4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970701
CID 161391832
CID 161391832
(4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone
CID 146008045
1-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726631
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106944264
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 22314037
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of [4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone (CID 62789591) is [4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for [4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone is O=C(c1ccc(C(F)(F)F)cc1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone?
The InChIKey is AUNXWPVFMSMCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F6O/c15-10-5-8(6-11(16)12(10)17)13(21)7-1-3-9(4-2-7)14(18,19)20/h1-6H.
What are the key properties of [4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone?
[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone has a molecular weight of 304.19 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 62789591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).