3-ethyl-4-fluoro-6-methoxycyclohexene

C9H15FO — CID 123401205

IUPAC3-ethyl-4-fluoro-6-methoxycyclohexene
SMILESCCC1C=CC(OC)CC1F
InChIInChI=1S/C9H15FO/c1-3-7-4-5-8(11-2)6-9(7)10/h4-5,7-9H,3,6H2,1-2H3
InChIKeyIAGFGMPBGKMJQK-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.33
Rot. Bonds2

About 3-ethyl-4-fluoro-6-methoxycyclohexene

3-ethyl-4-fluoro-6-methoxycyclohexene (PubChem CID 123401205) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 3-ethyl-4-fluoro-6-methoxycyclohexene.

Molecular Properties

Compound Name3-ethyl-4-fluoro-6-methoxycyclohexene
PubChem CID123401205
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name3-ethyl-4-fluoro-6-methoxycyclohexene
SMILESCCC1C=CC(OC)CC1F
InChIInChI=1S/C9H15FO/c1-3-7-4-5-8(11-2)6-9(7)10/h4-5,7-9H,3,6H2,1-2H3
InChIKeyIAGFGMPBGKMJQK-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethyl-4-fluoro-6-methoxycyclohexene 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

Methyl piperitol
CID 12284330
3-(2,2,2-Trifluoro-1-prop-2-enoxyethyl)cyclohexene
CID 86077588
3-(1-Cyclohex-2-en-1-yloxy-2,2,2-trifluoroethyl)cyclohexene
CID 86077592
[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane
CID 11858809
1-[1-(2-Ethylpentoxy)ethyl]-5-fluoro-4-(fluoromethyl)cyclohexa-1,3-diene
CID 70950800
2,3-Difluoro-1-methyl-4-pent-2-enoxycyclohexane
CID 71099919
7-(Fluoromethoxy)-3,4-dimethyldec-5-ene
CID 90964698
3-Fluoro-4-methyl-6-pent-4-ynoxycyclohexene
CID 91026939
(6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene
CID 118018675
1-(1-Methoxyethyl)-3,5-bis(trifluoromethyl)cyclohexene
CID 134172337
5-Fluoro-3-methoxy-3-methylcyclohexene
CID 141827209
1-Methyl-4-[4-(trifluoromethyl)cyclopent-2-en-1-yl]oxycyclohexane
CID 141835969

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluoro-6-methoxycyclohexene?
The IUPAC name of 3-ethyl-4-fluoro-6-methoxycyclohexene (CID 123401205) is 3-ethyl-4-fluoro-6-methoxycyclohexene.
What is the SMILES notation for 3-ethyl-4-fluoro-6-methoxycyclohexene?
The canonical SMILES for 3-ethyl-4-fluoro-6-methoxycyclohexene is CCC1C=CC(OC)CC1F.
What is the InChIKey of 3-ethyl-4-fluoro-6-methoxycyclohexene?
The InChIKey is IAGFGMPBGKMJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-3-7-4-5-8(11-2)6-9(7)10/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 3-ethyl-4-fluoro-6-methoxycyclohexene?
3-ethyl-4-fluoro-6-methoxycyclohexene has a molecular weight of 158.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-fluoro-6-methoxycyclohexene is sourced from PubChem (CID 123401205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).