4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene

C12H12ClF — CID 66968489

IUPAC4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene
SMILESFc1ccc(Cl)cc1C1=CCCCC1
InChIInChI=1S/C12H12ClF/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h4,6-8H,1-3,5H2
InChIKeyNZFLZWABRFYCHX-UHFFFAOYSA-N
MW210.68 g/mol
LogP4.44
Rot. Bonds1

About 4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene

4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene (PubChem CID 66968489) has the molecular formula C12H12ClF and a molecular weight of 210.68 g/mol. Its IUPAC name is 4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene.

Molecular Properties

Compound Name4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene
PubChem CID66968489
Molecular FormulaC12H12ClF
Molecular Weight210.68 g/mol
Exact Mass210.06
IUPAC Name4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene
SMILESFc1ccc(Cl)cc1C1=CCCCC1
InChIInChI=1S/C12H12ClF/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h4,6-8H,1-3,5H2
InChIKeyNZFLZWABRFYCHX-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.68
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene?
The IUPAC name of 4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene (CID 66968489) is 4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene.
What is the SMILES notation for 4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene?
The canonical SMILES for 4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene is Fc1ccc(Cl)cc1C1=CCCCC1.
What is the InChIKey of 4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene?
The InChIKey is NZFLZWABRFYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h4,6-8H,1-3,5H2.
What are the key properties of 4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene?
4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene has a molecular weight of 210.68 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene is sourced from PubChem (CID 66968489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).