1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene

C14H18ClF — CID 57222573

IUPAC1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene
SMILESCCC1CCC(c2ccc(Cl)cc2)C(F)C1
InChIInChI=1S/C14H18ClF/c1-2-10-3-8-13(14(16)9-10)11-4-6-12(15)7-5-11/h4-7,10,13-14H,2-3,8-9H2,1H3
InChIKeyLKZIYUFEVNYJTL-UHFFFAOYSA-N
MW240.75 g/mol
LogP4.97
Rot. Bonds2

About 1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene

1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene (PubChem CID 57222573) has the molecular formula C14H18ClF and a molecular weight of 240.75 g/mol. Its IUPAC name is 1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene
PubChem CID57222573
Molecular FormulaC14H18ClF
Molecular Weight240.75 g/mol
Exact Mass240.11
IUPAC Name1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene
SMILESCCC1CCC(c2ccc(Cl)cc2)C(F)C1
InChIInChI=1S/C14H18ClF/c1-2-10-3-8-13(14(16)9-10)11-4-6-12(15)7-5-11/h4-7,10,13-14H,2-3,8-9H2,1H3
InChIKeyLKZIYUFEVNYJTL-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.75
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene?
The IUPAC name of 1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene (CID 57222573) is 1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene.
What is the SMILES notation for 1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene?
The canonical SMILES for 1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene is CCC1CCC(c2ccc(Cl)cc2)C(F)C1.
What is the InChIKey of 1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene?
The InChIKey is LKZIYUFEVNYJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF/c1-2-10-3-8-13(14(16)9-10)11-4-6-12(15)7-5-11/h4-7,10,13-14H,2-3,8-9H2,1H3.
What are the key properties of 1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene?
1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene has a molecular weight of 240.75 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene is sourced from PubChem (CID 57222573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).