1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane

C14H15F — CID 10798161

IUPAC1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane
SMILESC=CCC12CC(c3ccc(F)cc3)(C1)C2
InChIInChI=1S/C14H15F/c1-2-7-13-8-14(9-13,10-13)11-3-5-12(15)6-4-11/h2-6H,1,7-10H2
InChIKeyRPCZTLNCMHWODI-UHFFFAOYSA-N
MW202.27 g/mol
LogP3.82
Rot. Bonds3

About 1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane

1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane (PubChem CID 10798161) has the molecular formula C14H15F and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane
PubChem CID10798161
Molecular FormulaC14H15F
Molecular Weight202.27 g/mol
Exact Mass202.12
IUPAC Name1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane
SMILESC=CCC12CC(c3ccc(F)cc3)(C1)C2
InChIInChI=1S/C14H15F/c1-2-7-13-8-14(9-13,10-13)11-3-5-12(15)6-4-11/h2-6H,1,7-10H2
InChIKeyRPCZTLNCMHWODI-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.82
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-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane?
The IUPAC name of 1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane (CID 10798161) is 1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane.
What is the SMILES notation for 1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane?
The canonical SMILES for 1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane is C=CCC12CC(c3ccc(F)cc3)(C1)C2.
What is the InChIKey of 1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane?
The InChIKey is RPCZTLNCMHWODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F/c1-2-7-13-8-14(9-13,10-13)11-3-5-12(15)6-4-11/h2-6H,1,7-10H2.
What are the key properties of 1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane?
1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane has a molecular weight of 202.27 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-prop-2-enylbicyclo[1.1.1]pentane is sourced from PubChem (CID 10798161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).