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

C13H7Cl2F3 — CID 134623230

IUPAC1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene
SMILESFc1cc(-c2ccc(Cl)c(Cl)c2)ccc1C(F)F
InChIInChI=1S/C13H7Cl2F3/c14-10-4-2-7(5-11(10)15)8-1-3-9(13(17)18)12(16)6-8/h1-6,13H
InChIKeyAHVNEHPBCKOFHX-UHFFFAOYSA-N
MW291.10 g/mol
LogP5.74
Rot. Bonds2

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

1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene (PubChem CID 134623230) has the molecular formula C13H7Cl2F3 and a molecular weight of 291.10 g/mol. Its IUPAC name is 1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene
PubChem CID134623230
Molecular FormulaC13H7Cl2F3
Molecular Weight291.10 g/mol
Exact Mass289.99
IUPAC Name1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene
SMILESFc1cc(-c2ccc(Cl)c(Cl)c2)ccc1C(F)F
InChIInChI=1S/C13H7Cl2F3/c14-10-4-2-7(5-11(10)15)8-1-3-9(13(17)18)12(16)6-8/h1-6,13H
InChIKeyAHVNEHPBCKOFHX-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.10
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene
CID 119008035
[4-(3,4-dichlorophenyl)-2-fluorophenyl]methanol
CID 118801795
1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
CID 63436858
1,2-dichloro-4-(3,5-difluorophenyl)benzene
CID 134623188
1,2,4-trichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 134622495
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
5-(3,4-dichlorophenyl)-2-fluoropyrimidine
CID 130167089
1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene
CID 63442364
(1S)-1-[4-(difluoromethyl)-3-fluorophenyl]-2,2,2-trifluoroethanamine
CID 66511140
5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile
CID 133095931
1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625952
1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene
CID 129318156

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene?
The IUPAC name of 1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene (CID 134623230) is 1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene is Fc1cc(-c2ccc(Cl)c(Cl)c2)ccc1C(F)F.
What is the InChIKey of 1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene?
The InChIKey is AHVNEHPBCKOFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3/c14-10-4-2-7(5-11(10)15)8-1-3-9(13(17)18)12(16)6-8/h1-6,13H.
What are the key properties of 1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene?
1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene has a molecular weight of 291.10 g/mol, XLogP of 5.74, 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-[4-(difluoromethyl)-3-fluorophenyl]benzene is sourced from PubChem (CID 134623230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).