(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone

C14H8Cl2F2O2 — CID 60965946

IUPAC(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2cc(Cl)cc(Cl)c2)c(F)c1
InChIInChI=1S/C14H8Cl2F2O2/c1-20-10-5-11(17)13(12(18)6-10)14(19)7-2-8(15)4-9(16)3-7/h2-6H,1H3
InChIKeySIMFRLXINYZXDT-UHFFFAOYSA-N
MW317.12 g/mol
LogP4.51
Rot. Bonds3

About (3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone

(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone (PubChem CID 60965946) has the molecular formula C14H8Cl2F2O2 and a molecular weight of 317.12 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
PubChem CID60965946
Molecular FormulaC14H8Cl2F2O2
Molecular Weight317.12 g/mol
Exact Mass315.99
IUPAC Name(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2cc(Cl)cc(Cl)c2)c(F)c1
InChIInChI=1S/C14H8Cl2F2O2/c1-20-10-5-11(17)13(12(18)6-10)14(19)7-2-8(15)4-9(16)3-7/h2-6H,1H3
InChIKeySIMFRLXINYZXDT-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.12
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187510
(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785405
(2,6-difluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 54880508
(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 104850995
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone
CID 114990495
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
2-bromo-1-(2-chloro-6-fluoro-4-methoxyphenyl)ethanone
CID 86690850
1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone
CID 171014376
magnesium bis(3-chloro-5-methoxybenzoate)
CID 160501066
(2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237489

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone?
The IUPAC name of (3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone (CID 60965946) is (3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone is COc1cc(F)c(C(=O)c2cc(Cl)cc(Cl)c2)c(F)c1.
What is the InChIKey of (3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone?
The InChIKey is SIMFRLXINYZXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2O2/c1-20-10-5-11(17)13(12(18)6-10)14(19)7-2-8(15)4-9(16)3-7/h2-6H,1H3.
What are the key properties of (3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone?
(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone has a molecular weight of 317.12 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 60965946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).