1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene

C14H10Cl2F2O2 — CID 122700549

IUPAC1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene
SMILESCOc1c(Cl)ccc(-c2ccc(Cl)c(OC)c2F)c1F
InChIInChI=1S/C14H10Cl2F2O2/c1-19-13-9(15)5-3-7(11(13)17)8-4-6-10(16)14(20-2)12(8)18/h3-6H,1-2H3
InChIKeyKSSRQZCOFLBADO-UHFFFAOYSA-N
MW319.13 g/mol
LogP4.96
Rot. Bonds3

About 1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene

1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene (PubChem CID 122700549) has the molecular formula C14H10Cl2F2O2 and a molecular weight of 319.13 g/mol. Its IUPAC name is 1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene
PubChem CID122700549
Molecular FormulaC14H10Cl2F2O2
Molecular Weight319.13 g/mol
Exact Mass318.00
IUPAC Name1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene
SMILESCOc1c(Cl)ccc(-c2ccc(Cl)c(OC)c2F)c1F
InChIInChI=1S/C14H10Cl2F2O2/c1-19-13-9(15)5-3-7(11(13)17)8-4-6-10(16)14(20-2)12(8)18/h3-6H,1-2H3
InChIKeyKSSRQZCOFLBADO-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine
CID 178073048
5,6-dichloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 86664731
6-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)-5-N,5-N-dimethylpyrimidine-4,5-diamine
CID 59126930
4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid
CID 161005648
methyl 3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-4-methylpyridine-2-carboxylate
CID 138549772
methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
CID 165443753
5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169403614
[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419415
methyl 6-amino-5-bromo-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxylate
CID 59432116
1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene
CID 164893202
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid
CID 155064884
2-(4-chloro-2-fluoro-3-methoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbaldehyde
CID 88854160

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene?
The IUPAC name of 1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene (CID 122700549) is 1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene.
What is the SMILES notation for 1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene?
The canonical SMILES for 1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene is COc1c(Cl)ccc(-c2ccc(Cl)c(OC)c2F)c1F.
What is the InChIKey of 1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene?
The InChIKey is KSSRQZCOFLBADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2O2/c1-19-13-9(15)5-3-7(11(13)17)8-4-6-10(16)14(20-2)12(8)18/h3-6H,1-2H3.
What are the key properties of 1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene?
1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene has a molecular weight of 319.13 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene is sourced from PubChem (CID 122700549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).