(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone

C14H9ClF2O2 — CID 79697438

IUPAC(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
SMILESCOc1cc(C(=O)c2c(F)cccc2F)ccc1Cl
InChIInChI=1S/C14H9ClF2O2/c1-19-12-7-8(5-6-9(12)15)14(18)13-10(16)3-2-4-11(13)17/h2-7H,1H3
InChIKeyXLUQJZPPDMTORB-UHFFFAOYSA-N
MW282.67 g/mol
LogP3.86
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone

(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone (PubChem CID 79697438) has the molecular formula C14H9ClF2O2 and a molecular weight of 282.67 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
PubChem CID79697438
Molecular FormulaC14H9ClF2O2
Molecular Weight282.67 g/mol
Exact Mass282.03
IUPAC Name(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
SMILESCOc1cc(C(=O)c2c(F)cccc2F)ccc1Cl
InChIInChI=1S/C14H9ClF2O2/c1-19-12-7-8(5-6-9(12)15)14(18)13-10(16)3-2-4-11(13)17/h2-7H,1H3
InChIKeyXLUQJZPPDMTORB-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 115781775
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
CID 43167216
(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379564
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769
(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
CID 79699081
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 115781836
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65433422
(4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
CID 115781785

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone (CID 79697438) is (4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone is COc1cc(C(=O)c2c(F)cccc2F)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone?
The InChIKey is XLUQJZPPDMTORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O2/c1-19-12-7-8(5-6-9(12)15)14(18)13-10(16)3-2-4-11(13)17/h2-7H,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone?
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone has a molecular weight of 282.67 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 79697438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).