(2,3-dichloro-6-fluorophenyl)-phenylmethanone

C13H7Cl2FO — CID 171366473

IUPAC(2,3-dichloro-6-fluorophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(F)ccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl2FO/c14-9-6-7-10(16)11(12(9)15)13(17)8-4-2-1-3-5-8/h1-7H
InChIKeyNXMUUWNZCZOWJO-UHFFFAOYSA-N
MW269.10 g/mol
LogP4.36
Rot. Bonds2

About (2,3-dichloro-6-fluorophenyl)-phenylmethanone

(2,3-dichloro-6-fluorophenyl)-phenylmethanone (PubChem CID 171366473) has the molecular formula C13H7Cl2FO and a molecular weight of 269.10 g/mol. Its IUPAC name is (2,3-dichloro-6-fluorophenyl)-phenylmethanone.

Molecular Properties

Compound Name(2,3-dichloro-6-fluorophenyl)-phenylmethanone
PubChem CID171366473
Molecular FormulaC13H7Cl2FO
Molecular Weight269.10 g/mol
Exact Mass267.99
IUPAC Name(2,3-dichloro-6-fluorophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(F)ccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl2FO/c14-9-6-7-10(16)11(12(9)15)13(17)8-4-2-1-3-5-8/h1-7H
InChIKeyNXMUUWNZCZOWJO-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(3-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
(4-benzoylphenyl) 2-chloro-6-fluorobenzoate
CID 2678926
diphenylmethanone
CID 3102
bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone
CID 130332180
(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
CID 43167216
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone
CID 141016789

Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-6-fluorophenyl)-phenylmethanone?
The IUPAC name of (2,3-dichloro-6-fluorophenyl)-phenylmethanone (CID 171366473) is (2,3-dichloro-6-fluorophenyl)-phenylmethanone.
What is the SMILES notation for (2,3-dichloro-6-fluorophenyl)-phenylmethanone?
The canonical SMILES for (2,3-dichloro-6-fluorophenyl)-phenylmethanone is O=C(c1ccccc1)c1c(F)ccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichloro-6-fluorophenyl)-phenylmethanone?
The InChIKey is NXMUUWNZCZOWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FO/c14-9-6-7-10(16)11(12(9)15)13(17)8-4-2-1-3-5-8/h1-7H.
What are the key properties of (2,3-dichloro-6-fluorophenyl)-phenylmethanone?
(2,3-dichloro-6-fluorophenyl)-phenylmethanone has a molecular weight of 269.10 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-6-fluorophenyl)-phenylmethanone is sourced from PubChem (CID 171366473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).