1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene

C13H7Cl3F2 — CID 134625952

IUPAC1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene
SMILESFC(F)c1c(Cl)cccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl3F2/c14-9-5-4-7(6-11(9)16)8-2-1-3-10(15)12(8)13(17)18/h1-6,13H
InChIKeyIPHVIOXWQQUCQO-UHFFFAOYSA-N
MW307.55 g/mol
LogP6.25
Rot. Bonds2

About 1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene

1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene (PubChem CID 134625952) has the molecular formula C13H7Cl3F2 and a molecular weight of 307.55 g/mol. Its IUPAC name is 1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene
PubChem CID134625952
Molecular FormulaC13H7Cl3F2
Molecular Weight307.55 g/mol
Exact Mass305.96
IUPAC Name1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene
SMILESFC(F)c1c(Cl)cccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl3F2/c14-9-5-4-7(6-11(9)16)8-2-1-3-10(15)12(8)13(17)18/h1-6,13H
InChIKeyIPHVIOXWQQUCQO-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 118843076
2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625949
1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 118837736
[2-(3,4-dichlorophenyl)-6-fluorophenyl]methanol
CID 118813063
1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene
CID 54148188
1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene
CID 134619644
2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine
CID 101434001
2-(3,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 134623207
1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene
CID 118822247
1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene
CID 134623230
1,2-dichloro-4-(2-ethylphenyl)benzene
CID 67818201
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene?
The IUPAC name of 1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene (CID 134625952) is 1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene is FC(F)c1c(Cl)cccc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene?
The InChIKey is IPHVIOXWQQUCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F2/c14-9-5-4-7(6-11(9)16)8-2-1-3-10(15)12(8)13(17)18/h1-6,13H.
What are the key properties of 1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene?
1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene has a molecular weight of 307.55 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene is sourced from PubChem (CID 134625952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).