1,2-dichloro-4-(3,5-difluorophenyl)benzene

C12H6Cl2F2 — CID 134623188

IUPAC1,2-dichloro-4-(3,5-difluorophenyl)benzene
SMILESFc1cc(F)cc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H6Cl2F2/c13-11-2-1-7(5-12(11)14)8-3-9(15)6-10(16)4-8/h1-6H
InChIKeyQLDVAXJNDGSDGS-UHFFFAOYSA-N
MW259.08 g/mol
LogP4.94
Rot. Bonds1

About 1,2-dichloro-4-(3,5-difluorophenyl)benzene

1,2-dichloro-4-(3,5-difluorophenyl)benzene (PubChem CID 134623188) has the molecular formula C12H6Cl2F2 and a molecular weight of 259.08 g/mol. Its IUPAC name is 1,2-dichloro-4-(3,5-difluorophenyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(3,5-difluorophenyl)benzene
PubChem CID134623188
Molecular FormulaC12H6Cl2F2
Molecular Weight259.08 g/mol
Exact Mass257.98
IUPAC Name1,2-dichloro-4-(3,5-difluorophenyl)benzene
SMILESFc1cc(F)cc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H6Cl2F2/c13-11-2-1-7(5-12(11)14)8-3-9(15)6-10(16)4-8/h1-6H
InChIKeyQLDVAXJNDGSDGS-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
CID 142366576
3-(3,4-dichlorophenyl)-5-fluorobenzonitrile
CID 134623269
1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene
CID 129318156
2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid
CID 176516224
5-(3,4-dichlorophenyl)-2-fluoropyrimidine
CID 130167089
2-chloro-4-(3-chloro-5-fluorophenyl)aniline
CID 107607732
N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82771991
1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene
CID 134623230
4-(3,4-dichlorophenyl)phenol
CID 6452909
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
[4-(3,4-dichlorophenyl)-2-fluorophenyl]methanol
CID 118801795
4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol
CID 134623128

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(3,5-difluorophenyl)benzene?
The IUPAC name of 1,2-dichloro-4-(3,5-difluorophenyl)benzene (CID 134623188) is 1,2-dichloro-4-(3,5-difluorophenyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(3,5-difluorophenyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(3,5-difluorophenyl)benzene is Fc1cc(F)cc(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1,2-dichloro-4-(3,5-difluorophenyl)benzene?
The InChIKey is QLDVAXJNDGSDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F2/c13-11-2-1-7(5-12(11)14)8-3-9(15)6-10(16)4-8/h1-6H.
What are the key properties of 1,2-dichloro-4-(3,5-difluorophenyl)benzene?
1,2-dichloro-4-(3,5-difluorophenyl)benzene has a molecular weight of 259.08 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(3,5-difluorophenyl)benzene is sourced from PubChem (CID 134623188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).