5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene

C13H19FO — CID 151817129

IUPAC5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene
SMILESCOC1(C2CCCCC2)C=CC=CC1F
InChIInChI=1S/C13H19FO/c1-15-13(10-6-5-9-12(13)14)11-7-3-2-4-8-11/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeySBVNBZLRBFYCBJ-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.42
Rot. Bonds2

About 5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene

5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene (PubChem CID 151817129) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene
PubChem CID151817129
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene
SMILESCOC1(C2CCCCC2)C=CC=CC1F
InChIInChI=1S/C13H19FO/c1-15-13(10-6-5-9-12(13)14)11-7-3-2-4-8-11/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeySBVNBZLRBFYCBJ-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-cyclohexyl-6-fluoro-5-methoxycyclohexa-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

Related Compounds

11-Fluoro-11-methoxybicyclo[5.3.1]undeca-1(10),8-diene
CID 11745568
2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene
CID 58787098
6-Fluoro-5-[4-(4-fluorobut-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 67589298
5-[4-(5-Fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 67590185
6-fluoro-5-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88301852
5-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88302365
(3S,5S)-5-ethenyl-2-[(4R)-4-fluorocyclohexen-1-yl]-1-methyl-3-propan-2-yloxycyclohexene
CID 118018328
2-methyl-5-(4-methylcyclohexyl)-2-[(1Z,3Z)-2,3,4-trifluorohexa-1,3,5-trienyl]oxane
CID 142981259
5-[4-(4-Ethenylcyclohexyl)cyclohexyl]-6-fluoro-5-methoxycyclohexa-1,3-diene
CID 149725992
5-Cyclohexyl-5-(1-cyclohexyl-5,6-difluorocyclohexa-2,4-dien-1-yl)oxy-1,6-difluorocyclohexa-1,3-diene
CID 150371569
5-[4-(4-Ethylcyclohexyl)cyclohexyl]-6-fluoro-5-methoxycyclohexa-1,3-diene
CID 150567427
1,2-Difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethoxy)cyclohexa-1,3-diene
CID 150611545

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene?
The IUPAC name of 5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene (CID 151817129) is 5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene?
The canonical SMILES for 5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene is COC1(C2CCCCC2)C=CC=CC1F.
What is the InChIKey of 5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene?
The InChIKey is SBVNBZLRBFYCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-15-13(10-6-5-9-12(13)14)11-7-3-2-4-8-11/h5-6,9-12H,2-4,7-8H2,1H3.
What are the key properties of 5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene?
5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene has a molecular weight of 210.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-6-fluoro-5-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 151817129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).