3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene

C10H11FO — CID 142242255

IUPAC3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene
SMILESC=CCOC1=CC(F)=CC=CC1
InChIInChI=1S/C10H11FO/c1-2-7-12-10-6-4-3-5-9(11)8-10/h2-5,8H,1,6-7H2
InChIKeyWIDKKTSQWGVJKI-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.89
Rot. Bonds3

About 3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene

3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene (PubChem CID 142242255) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene
PubChem CID142242255
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene
SMILESC=CCOC1=CC(F)=CC=CC1
InChIInChI=1S/C10H11FO/c1-2-7-12-10-6-4-3-5-9(11)8-10/h2-5,8H,1,6-7H2
InChIKeyWIDKKTSQWGVJKI-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene?
The IUPAC name of 3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene (CID 142242255) is 3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene.
What is the SMILES notation for 3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene?
The canonical SMILES for 3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene is C=CCOC1=CC(F)=CC=CC1.
What is the InChIKey of 3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene?
The InChIKey is WIDKKTSQWGVJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-2-7-12-10-6-4-3-5-9(11)8-10/h2-5,8H,1,6-7H2.
What are the key properties of 3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene?
3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene has a molecular weight of 166.19 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-prop-2-enoxycyclohepta-1,3,5-triene is sourced from PubChem (CID 142242255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).