2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene

C10H15FO — CID 70336642

IUPAC2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene
SMILESCOC(C)CC1C=CC(F)=CC1
InChIInChI=1S/C10H15FO/c1-8(12-2)7-9-3-5-10(11)6-4-9/h3,5-6,8-9H,4,7H2,1-2H3
InChIKeyLVLKXHAUPSNQDW-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.84
Rot. Bonds3

About 2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene

2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene (PubChem CID 70336642) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene
PubChem CID70336642
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene
SMILESCOC(C)CC1C=CC(F)=CC1
InChIInChI=1S/C10H15FO/c1-8(12-2)7-9-3-5-10(11)6-4-9/h3,5-6,8-9H,4,7H2,1-2H3
InChIKeyLVLKXHAUPSNQDW-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene (CID 70336642) is 2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene is COC(C)CC1C=CC(F)=CC1.
What is the InChIKey of 2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene?
The InChIKey is LVLKXHAUPSNQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-8(12-2)7-9-3-5-10(11)6-4-9/h3,5-6,8-9H,4,7H2,1-2H3.
What are the key properties of 2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene?
2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene has a molecular weight of 170.23 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene is sourced from PubChem (CID 70336642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).