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

C14H7Cl2F3O — CID 114970678

IUPAC(3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H7Cl2F3O/c15-11-5-9(6-12(16)7-11)13(20)8-1-3-10(4-2-8)14(17,18)19/h1-7H
InChIKeyFDCYLGYMVPIIIL-UHFFFAOYSA-N
MW319.11 g/mol
LogP5.24
Rot. Bonds2

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

(3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 114970678) has the molecular formula C14H7Cl2F3O and a molecular weight of 319.11 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID114970678
Molecular FormulaC14H7Cl2F3O
Molecular Weight319.11 g/mol
Exact Mass317.98
IUPAC Name(3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H7Cl2F3O/c15-11-5-9(6-12(16)7-11)13(20)8-1-3-10(4-2-8)14(17,18)19/h1-7H
InChIKeyFDCYLGYMVPIIIL-UHFFFAOYSA-N
XLogP5.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.11
LogP ≤ 55.24
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
CID 139681041
[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone
CID 62789591
[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 90132438
CID 161391832
CID 161391832
(3S)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 122213441
(2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43344718
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970683
(3,5-dichlorophenyl)-(4-ethylphenyl)methanone
CID 24723207
1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
CID 57139215
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
(4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 115809281

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone (CID 114970678) is (3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is FDCYLGYMVPIIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3O/c15-11-5-9(6-12(16)7-11)13(20)8-1-3-10(4-2-8)14(17,18)19/h1-7H.
What are the key properties of (3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone?
(3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 319.11 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 114970678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).