1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene

C14H7Cl2F5O — CID 134629997

IUPAC1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene
SMILESFC(F)Oc1cc(-c2c(Cl)cccc2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H7Cl2F5O/c15-10-2-1-3-11(16)12(10)7-4-8(14(19,20)21)6-9(5-7)22-13(17)18/h1-6,13H
InChIKeyTXDRMAQPBSDLJH-UHFFFAOYSA-N
MW357.11 g/mol
LogP6.28
Rot. Bonds3

About 1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene

1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene (PubChem CID 134629997) has the molecular formula C14H7Cl2F5O and a molecular weight of 357.11 g/mol. Its IUPAC name is 1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene
PubChem CID134629997
Molecular FormulaC14H7Cl2F5O
Molecular Weight357.11 g/mol
Exact Mass355.98
IUPAC Name1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene
SMILESFC(F)Oc1cc(-c2c(Cl)cccc2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H7Cl2F5O/c15-10-2-1-3-11(16)12(10)7-4-8(14(19,20)21)6-9(5-7)22-13(17)18/h1-6,13H
InChIKeyTXDRMAQPBSDLJH-UHFFFAOYSA-N
XLogP6.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.11
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene
CID 75365408
1,3,5-tris(2,6-dichlorophenyl)benzene
CID 134437988
4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119025174
2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene
CID 171032891
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
3-(difluoromethoxy)-5-(trifluoromethyl)benzamide
CID 175797774
2-(2,6-dichlorophenyl)-5-(difluoromethoxy)pyridine
CID 118825016
1-chloro-3-(difluoromethoxy)naphthalene
CID 118805249
1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene
CID 119011151
4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2742540
1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 134630432

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene (CID 134629997) is 1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene is FC(F)Oc1cc(-c2c(Cl)cccc2Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene?
The InChIKey is TXDRMAQPBSDLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F5O/c15-10-2-1-3-11(16)12(10)7-4-8(14(19,20)21)6-9(5-7)22-13(17)18/h1-6,13H.
What are the key properties of 1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene?
1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene has a molecular weight of 357.11 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134629997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).