1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene

C14H8Cl3F3O — CID 134627077

IUPAC1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
SMILESCOc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1C(F)(F)F
InChIInChI=1S/C14H8Cl3F3O/c1-21-11-4-2-3-8(13(11)14(18,19)20)12-9(16)5-7(15)6-10(12)17/h2-6H,1H3
InChIKeyRGODCOSCDNOUQW-UHFFFAOYSA-N
MW355.57 g/mol
LogP6.34
Rot. Bonds2

About 1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene

1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene (PubChem CID 134627077) has the molecular formula C14H8Cl3F3O and a molecular weight of 355.57 g/mol. Its IUPAC name is 1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
PubChem CID134627077
Molecular FormulaC14H8Cl3F3O
Molecular Weight355.57 g/mol
Exact Mass353.96
IUPAC Name1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
SMILESCOc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1C(F)(F)F
InChIInChI=1S/C14H8Cl3F3O/c1-21-11-4-2-3-8(13(11)14(18,19)20)12-9(16)5-7(15)6-10(12)17/h2-6H,1H3
InChIKeyRGODCOSCDNOUQW-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
CID 119017007
1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene
CID 46311607
2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
CID 69117451
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069
1,3,5-trichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 134622379
2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 131869127
1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 131526444
3-methoxy-2-(trifluoromethyl)benzaldehyde
CID 73012639
[3-methoxy-2-(trifluoromethyl)phenyl]hydrazine
CID 130053332
1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 10971996
1,3-dimethoxy-2-(trichloromethyl)benzene
CID 174688195
2-[6-chloro-3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 171003505

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene (CID 134627077) is 1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene is COc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1C(F)(F)F.
What is the InChIKey of 1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene?
The InChIKey is RGODCOSCDNOUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F3O/c1-21-11-4-2-3-8(13(11)14(18,19)20)12-9(16)5-7(15)6-10(12)17/h2-6H,1H3.
What are the key properties of 1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene?
1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene has a molecular weight of 355.57 g/mol, XLogP of 6.34, 2 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-methoxy-2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134627077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).