2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene

C15H21FO — CID 123464154

IUPAC2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene
SMILESC=C(C1=CC=CCCC=C1F)C(C)CCOC
InChIInChI=1S/C15H21FO/c1-12(10-11-17-3)13(2)14-8-6-4-5-7-9-15(14)16/h4,6,8-9,12H,2,5,7,10-11H2,1,3H3
InChIKeyFMNSHRLQTWRMEP-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.34
Rot. Bonds5

About 2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene

2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene (PubChem CID 123464154) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene.

Molecular Properties

Compound Name2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene
PubChem CID123464154
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene
SMILESC=C(C1=CC=CCCC=C1F)C(C)CCOC
InChIInChI=1S/C15H21FO/c1-12(10-11-17-3)13(2)14-8-6-4-5-7-9-15(14)16/h4,6,8-9,12H,2,5,7,10-11H2,1,3H3
InChIKeyFMNSHRLQTWRMEP-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Octene, 8-methoxy-2,6-dimethyl-
CID 91936
(2E,4E)-1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene
CID 21522013
1-Fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene
CID 54024531
2-(4-Methoxybutyl)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 68177613
2-Fluoro-5-(3-methoxypropyl)cyclohexa-1,3-diene
CID 68177839
1-Fluoro-6-(2-methoxypropyl)cyclohexa-1,3-diene
CID 70336640
2-Fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene
CID 70336642
(3Z)-4-[(E)-1-fluoroprop-1-enyl]-8-methoxy-6-methyl-5-methylideneocta-1,3-diene
CID 88905328
(5S)-5-fluoro-2-(4-methoxybutyl)cyclohexa-1,3-diene
CID 89318719
5-Fluoro-2-(4-methoxybutyl)cyclohexa-1,3-diene
CID 89703627
1-Fluoro-9-methoxy-2,8-dimethyl-5-propan-2-ylnona-2,4-diene
CID 91170622
(Z,4R,6R)-6-fluoro-4-(methoxymethyl)oct-2-ene
CID 139376314

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene?
The IUPAC name of 2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene (CID 123464154) is 2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene.
What is the SMILES notation for 2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene?
The canonical SMILES for 2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene is C=C(C1=CC=CCCC=C1F)C(C)CCOC.
What is the InChIKey of 2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene?
The InChIKey is FMNSHRLQTWRMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-12(10-11-17-3)13(2)14-8-6-4-5-7-9-15(14)16/h4,6,8-9,12H,2,5,7,10-11H2,1,3H3.
What are the key properties of 2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene?
2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene has a molecular weight of 236.33 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(5-methoxy-3-methylpent-1-en-2-yl)cycloocta-1,3,5-triene is sourced from PubChem (CID 123464154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).