1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene

C14H9Cl3F2O — CID 142198486

IUPAC1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene
SMILESCc1c(F)cc(COc2c(Cl)cc(Cl)cc2Cl)cc1F
InChIInChI=1S/C14H9Cl3F2O/c1-7-12(18)2-8(3-13(7)19)6-20-14-10(16)4-9(15)5-11(14)17/h2-5H,6H2,1H3
InChIKeyKLXSBJBEKMFYJH-UHFFFAOYSA-N
MW337.58 g/mol
LogP5.81
Rot. Bonds3

About 1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene

1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene (PubChem CID 142198486) has the molecular formula C14H9Cl3F2O and a molecular weight of 337.58 g/mol. Its IUPAC name is 1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene
PubChem CID142198486
Molecular FormulaC14H9Cl3F2O
Molecular Weight337.58 g/mol
Exact Mass335.97
IUPAC Name1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene
SMILESCc1c(F)cc(COc2c(Cl)cc(Cl)cc2Cl)cc1F
InChIInChI=1S/C14H9Cl3F2O/c1-7-12(18)2-8(3-13(7)19)6-20-14-10(16)4-9(15)5-11(14)17/h2-5H,6H2,1H3
InChIKeyKLXSBJBEKMFYJH-UHFFFAOYSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.58
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-[(2,4,6-trichlorophenoxy)methyl]benzenecarbothioamide
CID 107879842
[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine
CID 22688679
1,5-dichloro-3-fluoro-2-methylbenzene;ethane
CID 142574555
1-[3,5-dichloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63500645
[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037818
1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene
CID 118847258
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126204543
1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene
CID 130766678
[4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol
CID 103038387
[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046936
(NZ)-N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 99968453
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene?
The IUPAC name of 1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene (CID 142198486) is 1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene.
What is the SMILES notation for 1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene?
The canonical SMILES for 1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene is Cc1c(F)cc(COc2c(Cl)cc(Cl)cc2Cl)cc1F.
What is the InChIKey of 1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene?
The InChIKey is KLXSBJBEKMFYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3F2O/c1-7-12(18)2-8(3-13(7)19)6-20-14-10(16)4-9(15)5-11(14)17/h2-5H,6H2,1H3.
What are the key properties of 1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene?
1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene has a molecular weight of 337.58 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-[(3,5-difluoro-4-methylphenyl)methoxy]benzene is sourced from PubChem (CID 142198486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).