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

C13H7Cl3F2O — CID 119010912

IUPAC1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
SMILESFC(F)Oc1cccc(-c2c(Cl)cccc2Cl)c1Cl
InChIInChI=1S/C13H7Cl3F2O/c14-8-4-2-5-9(15)11(8)7-3-1-6-10(12(7)16)19-13(17)18/h1-6,13H
InChIKeyNTHNHQOSVKZNME-UHFFFAOYSA-N
MW323.55 g/mol
LogP5.92
Rot. Bonds3

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

1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene (PubChem CID 119010912) has the molecular formula C13H7Cl3F2O and a molecular weight of 323.55 g/mol. Its IUPAC name is 1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
PubChem CID119010912
Molecular FormulaC13H7Cl3F2O
Molecular Weight323.55 g/mol
Exact Mass321.95
IUPAC Name1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
SMILESFC(F)Oc1cccc(-c2c(Cl)cccc2Cl)c1Cl
InChIInChI=1S/C13H7Cl3F2O/c14-8-4-2-5-9(15)11(8)7-3-1-6-10(12(7)16)19-13(17)18/h1-6,13H
InChIKeyNTHNHQOSVKZNME-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.55
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,5-trichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 134622379
1,2,3-trichloro-4-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 134622361
1,2-dichloro-3-[5-chloro-2-(difluoromethoxy)phenyl]benzene
CID 134629574
1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene
CID 118822247
[2-chloro-3-(difluoromethoxy)phenyl]methanol
CID 118270193
1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene
CID 119002522
1,2,3-trichloro-4-[3-chloro-2-(difluoromethoxy)phenyl]benzene
CID 118849408
1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene
CID 118836110
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 65468369
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726
3-[2-chloro-6-(difluoromethoxy)phenyl]propanal
CID 134621463

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene?
The IUPAC name of 1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene (CID 119010912) is 1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene is FC(F)Oc1cccc(-c2c(Cl)cccc2Cl)c1Cl.
What is the InChIKey of 1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene?
The InChIKey is NTHNHQOSVKZNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F2O/c14-8-4-2-5-9(15)11(8)7-3-1-6-10(12(7)16)19-13(17)18/h1-6,13H.
What are the key properties of 1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene?
1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene has a molecular weight of 323.55 g/mol, XLogP of 5.92, 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-[2-chloro-3-(difluoromethoxy)phenyl]benzene is sourced from PubChem (CID 119010912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).