(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone

C13H5ClF4O — CID 43338532

IUPAC(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)c1c(F)cccc1Cl
InChIInChI=1S/C13H5ClF4O/c14-7-2-1-3-8(16)11(7)13(19)12-9(17)4-6(15)5-10(12)18/h1-5H
InChIKeyMMPPFDCIZHNFSD-UHFFFAOYSA-N
MW288.63 g/mol
LogP4.13
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone

(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone (PubChem CID 43338532) has the molecular formula C13H5ClF4O and a molecular weight of 288.63 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone
PubChem CID43338532
Molecular FormulaC13H5ClF4O
Molecular Weight288.63 g/mol
Exact Mass288.00
IUPAC Name(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)c1c(F)cccc1Cl
InChIInChI=1S/C13H5ClF4O/c14-7-2-1-3-8(16)11(7)13(19)12-9(17)4-6(15)5-10(12)18/h1-5H
InChIKeyMMPPFDCIZHNFSD-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.63
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 67505353
(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 79736530
(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
CID 43167216
(2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone
CID 115481855
(2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone
CID 112756059
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81156620
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
2-(2-chlorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 43160565
3-(2-chloro-6-fluorophenyl)-2-(3,5-difluorophenyl)-3-oxopropanenitrile
CID 61496663

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone (CID 43338532) is (2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone is O=C(c1c(F)cc(F)cc1F)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone?
The InChIKey is MMPPFDCIZHNFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5ClF4O/c14-7-2-1-3-8(16)11(7)13(19)12-9(17)4-6(15)5-10(12)18/h1-5H.
What are the key properties of (2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone?
(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone has a molecular weight of 288.63 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 43338532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).