(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone

C13H5F5O — CID 79522795

IUPAC(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1F)c1c(F)cccc1F
InChIInChI=1S/C13H5F5O/c14-7-2-1-3-8(15)10(7)13(19)6-4-5-9(16)12(18)11(6)17/h1-5H
InChIKeyHZMGPYVGJIEXFE-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.61
Rot. Bonds2

About (2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone

(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 79522795) has the molecular formula C13H5F5O and a molecular weight of 272.17 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID79522795
Molecular FormulaC13H5F5O
Molecular Weight272.17 g/mol
Exact Mass272.03
IUPAC Name(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1F)c1c(F)cccc1F
InChIInChI=1S/C13H5F5O/c14-7-2-1-3-8(15)10(7)13(19)6-4-5-9(16)12(18)11(6)17/h1-5H
InChIKeyHZMGPYVGJIEXFE-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.61
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

(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 141431746
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
(2,6-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 135044829
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971667
(2,3,4,6-tetrachlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 105349314
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963924
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108536978
[3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 105099010
(2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 82703694
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 66423624

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone (CID 79522795) is (2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone is O=C(c1ccc(F)c(F)c1F)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is HZMGPYVGJIEXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F5O/c14-7-2-1-3-8(15)10(7)13(19)6-4-5-9(16)12(18)11(6)17/h1-5H.
What are the key properties of (2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone?
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 272.17 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 79522795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).