3-(2-ethenyl-4-fluorophenoxy)cycloheptene

C15H17FO — CID 15274154

IUPAC3-(2-ethenyl-4-fluorophenoxy)cycloheptene
SMILESC=Cc1cc(F)ccc1OC1C=CCCCC1
InChIInChI=1S/C15H17FO/c1-2-12-11-13(16)9-10-15(12)17-14-7-5-3-4-6-8-14/h2,5,7,9-11,14H,1,3-4,6,8H2
InChIKeyLGEHSKSXJZVLFS-UHFFFAOYSA-N
MW232.30 g/mol
LogP4.35
Rot. Bonds3

About 3-(2-ethenyl-4-fluorophenoxy)cycloheptene

3-(2-ethenyl-4-fluorophenoxy)cycloheptene (PubChem CID 15274154) has the molecular formula C15H17FO and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-(2-ethenyl-4-fluorophenoxy)cycloheptene.

Molecular Properties

Compound Name3-(2-ethenyl-4-fluorophenoxy)cycloheptene
PubChem CID15274154
Molecular FormulaC15H17FO
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name3-(2-ethenyl-4-fluorophenoxy)cycloheptene
SMILESC=Cc1cc(F)ccc1OC1C=CCCCC1
InChIInChI=1S/C15H17FO/c1-2-12-11-13(16)9-10-15(12)17-14-7-5-3-4-6-8-14/h2,5,7,9-11,14H,1,3-4,6,8H2
InChIKeyLGEHSKSXJZVLFS-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-3-(2-ethenylphenoxy)cyclooctene
CID 10922278
1-cyclohex-2-en-1-yloxy-2-ethenylbenzene
CID 15274159
(1R,2R)-2-(4-fluoro-2-prop-1-enylphenoxy)cyclohept-3-en-1-ol
CID 90984733
2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene
CID 10267307
(E)-3-(5-bromo-2-cyclohex-2-en-1-yloxyphenyl)prop-2-enoic acid
CID 114620185
2-cyclopent-2-en-1-yloxybenzaldehyde
CID 13110295
1-cyclohex-2-en-1-yloxy-4-ethenylbenzene
CID 56975976
(1E)-3-(2-propan-2-ylphenoxy)cyclooctene
CID 114228087
1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol
CID 114620138
2-ethenyl-4-fluoro-1-propan-2-yloxybenzene
CID 25197210
3-ethenoxycyclohexene
CID 12734632
5-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 54206426

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenyl-4-fluorophenoxy)cycloheptene?
The IUPAC name of 3-(2-ethenyl-4-fluorophenoxy)cycloheptene (CID 15274154) is 3-(2-ethenyl-4-fluorophenoxy)cycloheptene.
What is the SMILES notation for 3-(2-ethenyl-4-fluorophenoxy)cycloheptene?
The canonical SMILES for 3-(2-ethenyl-4-fluorophenoxy)cycloheptene is C=Cc1cc(F)ccc1OC1C=CCCCC1.
What is the InChIKey of 3-(2-ethenyl-4-fluorophenoxy)cycloheptene?
The InChIKey is LGEHSKSXJZVLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO/c1-2-12-11-13(16)9-10-15(12)17-14-7-5-3-4-6-8-14/h2,5,7,9-11,14H,1,3-4,6,8H2.
What are the key properties of 3-(2-ethenyl-4-fluorophenoxy)cycloheptene?
3-(2-ethenyl-4-fluorophenoxy)cycloheptene has a molecular weight of 232.30 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenyl-4-fluorophenoxy)cycloheptene is sourced from PubChem (CID 15274154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).