1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene

C18H24ClF — CID 126546202

IUPAC1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene
SMILESFc1c(Cl)cccc1C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C18H24ClF/c19-17-8-4-7-16(18(17)20)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h4,7-8,13-15H,1-3,5-6,9-12H2
InChIKeyZVCJTGITEKZWLH-UHFFFAOYSA-N
MW294.84 g/mol
LogP6.33
Rot. Bonds2

About 1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene

1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene (PubChem CID 126546202) has the molecular formula C18H24ClF and a molecular weight of 294.84 g/mol. Its IUPAC name is 1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene
PubChem CID126546202
Molecular FormulaC18H24ClF
Molecular Weight294.84 g/mol
Exact Mass294.16
IUPAC Name1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene
SMILESFc1c(Cl)cccc1C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C18H24ClF/c19-17-8-4-7-16(18(17)20)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h4,7-8,13-15H,1-3,5-6,9-12H2
InChIKeyZVCJTGITEKZWLH-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.84
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene?
The IUPAC name of 1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene (CID 126546202) is 1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene.
What is the SMILES notation for 1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene?
The canonical SMILES for 1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene is Fc1c(Cl)cccc1C1CCC(C2CCCCC2)CC1.
What is the InChIKey of 1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene?
The InChIKey is ZVCJTGITEKZWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClF/c19-17-8-4-7-16(18(17)20)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h4,7-8,13-15H,1-3,5-6,9-12H2.
What are the key properties of 1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene?
1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene has a molecular weight of 294.84 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene is sourced from PubChem (CID 126546202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).