2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene

C15H15F — CID 142869489

IUPAC2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene
SMILESCCc1cccc(C2=CCC=C(F)C=C2)c1
InChIInChI=1S/C15H15F/c1-2-12-5-3-7-14(11-12)13-6-4-8-15(16)10-9-13/h3,5-11H,2,4H2,1H3
InChIKeySACBCDPJPGMXPN-UHFFFAOYSA-N
MW214.28 g/mol
LogP4.45
Rot. Bonds2

About 2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene

2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene (PubChem CID 142869489) has the molecular formula C15H15F and a molecular weight of 214.28 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene
PubChem CID142869489
Molecular FormulaC15H15F
Molecular Weight214.28 g/mol
Exact Mass214.12
IUPAC Name2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene
SMILESCCc1cccc(C2=CCC=C(F)C=C2)c1
InChIInChI=1S/C15H15F/c1-2-12-5-3-7-14(11-12)13-6-4-8-15(16)10-9-13/h3,5-11H,2,4H2,1H3
InChIKeySACBCDPJPGMXPN-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene?
The IUPAC name of 2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene (CID 142869489) is 2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene.
What is the SMILES notation for 2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene?
The canonical SMILES for 2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene is CCc1cccc(C2=CCC=C(F)C=C2)c1.
What is the InChIKey of 2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene?
The InChIKey is SACBCDPJPGMXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F/c1-2-12-5-3-7-14(11-12)13-6-4-8-15(16)10-9-13/h3,5-11H,2,4H2,1H3.
What are the key properties of 2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene?
2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene has a molecular weight of 214.28 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene is sourced from PubChem (CID 142869489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).