1-ethylidene-2-(4-fluorophenyl)cycloheptane

C15H19F — CID 167278345

IUPAC1-ethylidene-2-(4-fluorophenyl)cycloheptane
SMILESCC=C1CCCCCC1c1ccc(F)cc1
InChIInChI=1S/C15H19F/c1-2-12-6-4-3-5-7-15(12)13-8-10-14(16)11-9-13/h2,8-11,15H,3-7H2,1H3
InChIKeyYJADSLDIRPQELV-UHFFFAOYSA-N
MW218.32 g/mol
LogP4.82
Rot. Bonds1

About 1-ethylidene-2-(4-fluorophenyl)cycloheptane

1-ethylidene-2-(4-fluorophenyl)cycloheptane (PubChem CID 167278345) has the molecular formula C15H19F and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-ethylidene-2-(4-fluorophenyl)cycloheptane.

Molecular Properties

Compound Name1-ethylidene-2-(4-fluorophenyl)cycloheptane
PubChem CID167278345
Molecular FormulaC15H19F
Molecular Weight218.32 g/mol
Exact Mass218.15
IUPAC Name1-ethylidene-2-(4-fluorophenyl)cycloheptane
SMILESCC=C1CCCCCC1c1ccc(F)cc1
InChIInChI=1S/C15H19F/c1-2-12-6-4-3-5-7-15(12)13-8-10-14(16)11-9-13/h2,8-11,15H,3-7H2,1H3
InChIKeyYJADSLDIRPQELV-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 54.82
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-ethylidene-2-(4-fluorophenyl)cycloheptane?
The IUPAC name of 1-ethylidene-2-(4-fluorophenyl)cycloheptane (CID 167278345) is 1-ethylidene-2-(4-fluorophenyl)cycloheptane.
What is the SMILES notation for 1-ethylidene-2-(4-fluorophenyl)cycloheptane?
The canonical SMILES for 1-ethylidene-2-(4-fluorophenyl)cycloheptane is CC=C1CCCCCC1c1ccc(F)cc1.
What is the InChIKey of 1-ethylidene-2-(4-fluorophenyl)cycloheptane?
The InChIKey is YJADSLDIRPQELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F/c1-2-12-6-4-3-5-7-15(12)13-8-10-14(16)11-9-13/h2,8-11,15H,3-7H2,1H3.
What are the key properties of 1-ethylidene-2-(4-fluorophenyl)cycloheptane?
1-ethylidene-2-(4-fluorophenyl)cycloheptane has a molecular weight of 218.32 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylidene-2-(4-fluorophenyl)cycloheptane is sourced from PubChem (CID 167278345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).