1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene

C12H6ClF3 — CID 142366576

IUPAC1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
SMILESFc1cc(F)cc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H6ClF3/c13-11-5-7(1-2-12(11)16)8-3-9(14)6-10(15)4-8/h1-6H
InChIKeyFCRGLELVUBUOGU-UHFFFAOYSA-N
MW242.63 g/mol
LogP4.42
Rot. Bonds1

About 1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene

1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene (PubChem CID 142366576) has the molecular formula C12H6ClF3 and a molecular weight of 242.63 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
PubChem CID142366576
Molecular FormulaC12H6ClF3
Molecular Weight242.63 g/mol
Exact Mass242.01
IUPAC Name1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
SMILESFc1cc(F)cc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H6ClF3/c13-11-5-7(1-2-12(11)16)8-3-9(14)6-10(15)4-8/h1-6H
InChIKeyFCRGLELVUBUOGU-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene (CID 142366576) is 1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene is Fc1cc(F)cc(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene?
The InChIKey is FCRGLELVUBUOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3/c13-11-5-7(1-2-12(11)16)8-3-9(14)6-10(15)4-8/h1-6H.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene?
1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene has a molecular weight of 242.63 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene is sourced from PubChem (CID 142366576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).