(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone

C13H3ClF6O — CID 115791516

IUPAC(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H3ClF6O/c14-4-1-2-5(6(15)3-4)13(21)7-8(16)10(18)12(20)11(19)9(7)17/h1-3H
InChIKeyPABKEKPZRNQQBY-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.41
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone

(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone (PubChem CID 115791516) has the molecular formula C13H3ClF6O and a molecular weight of 324.61 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
PubChem CID115791516
Molecular FormulaC13H3ClF6O
Molecular Weight324.61 g/mol
Exact Mass323.98
IUPAC Name(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H3ClF6O/c14-4-1-2-5(6(15)3-4)13(21)7-8(16)10(18)12(20)11(19)9(7)17/h1-3H
InChIKeyPABKEKPZRNQQBY-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid
CID 70204169
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
(4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone
CID 115791492
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 107944691
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone (CID 115791516) is (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone is O=C(c1ccc(Cl)cc1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone?
The InChIKey is PABKEKPZRNQQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3ClF6O/c14-4-1-2-5(6(15)3-4)13(21)7-8(16)10(18)12(20)11(19)9(7)17/h1-3H.
What are the key properties of (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone?
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone has a molecular weight of 324.61 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone is sourced from PubChem (CID 115791516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).