1-(1-ethenylcyclohexyl)-4-fluorobenzene

C14H17F — CID 141324071

IUPAC1-(1-ethenylcyclohexyl)-4-fluorobenzene
SMILESC=CC1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C14H17F/c1-2-14(10-4-3-5-11-14)12-6-8-13(15)9-7-12/h2,6-9H,1,3-5,10-11H2
InChIKeyDZBFJMGVZSWRGQ-UHFFFAOYSA-N
MW204.29 g/mol
LogP4.21
Rot. Bonds2

About 1-(1-ethenylcyclohexyl)-4-fluorobenzene

1-(1-ethenylcyclohexyl)-4-fluorobenzene (PubChem CID 141324071) has the molecular formula C14H17F and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-(1-ethenylcyclohexyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(1-ethenylcyclohexyl)-4-fluorobenzene
PubChem CID141324071
Molecular FormulaC14H17F
Molecular Weight204.29 g/mol
Exact Mass204.13
IUPAC Name1-(1-ethenylcyclohexyl)-4-fluorobenzene
SMILESC=CC1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C14H17F/c1-2-14(10-4-3-5-11-14)12-6-8-13(15)9-7-12/h2,6-9H,1,3-5,10-11H2
InChIKeyDZBFJMGVZSWRGQ-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethenylcyclohexyl)-4-fluorobenzene?
The IUPAC name of 1-(1-ethenylcyclohexyl)-4-fluorobenzene (CID 141324071) is 1-(1-ethenylcyclohexyl)-4-fluorobenzene.
What is the SMILES notation for 1-(1-ethenylcyclohexyl)-4-fluorobenzene?
The canonical SMILES for 1-(1-ethenylcyclohexyl)-4-fluorobenzene is C=CC1(c2ccc(F)cc2)CCCCC1.
What is the InChIKey of 1-(1-ethenylcyclohexyl)-4-fluorobenzene?
The InChIKey is DZBFJMGVZSWRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F/c1-2-14(10-4-3-5-11-14)12-6-8-13(15)9-7-12/h2,6-9H,1,3-5,10-11H2.
What are the key properties of 1-(1-ethenylcyclohexyl)-4-fluorobenzene?
1-(1-ethenylcyclohexyl)-4-fluorobenzene has a molecular weight of 204.29 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenylcyclohexyl)-4-fluorobenzene is sourced from PubChem (CID 141324071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).