methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate

C14H15FO2 — CID 166570461

IUPACmethyl 4-(cyclohexen-1-yl)-3-fluorobenzoate
SMILESCOC(=O)c1ccc(C2=CCCCC2)c(F)c1
InChIInChI=1S/C14H15FO2/c1-17-14(16)11-7-8-12(13(15)9-11)10-5-3-2-4-6-10/h5,7-9H,2-4,6H2,1H3
InChIKeyXVXAWDYKBMUPEQ-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.57
Rot. Bonds2

About methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate

methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate (PubChem CID 166570461) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-(cyclohexen-1-yl)-3-fluorobenzoate
PubChem CID166570461
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Namemethyl 4-(cyclohexen-1-yl)-3-fluorobenzoate
SMILESCOC(=O)c1ccc(C2=CCCCC2)c(F)c1
InChIInChI=1S/C14H15FO2/c1-17-14(16)11-7-8-12(13(15)9-11)10-5-3-2-4-6-10/h5,7-9H,2-4,6H2,1H3
InChIKeyXVXAWDYKBMUPEQ-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate 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 4-(cyclohexen-1-yl)quinoline-6-carboxylate
CID 67961081
methyl 3-fluoro-4-(3,4,5-trifluorophenyl)benzoate
CID 151858765
methyl 3-(cyclohepten-1-yl)-4-(3-methoxyphenyl)benzoate;methyl 3-cycloheptyl-4-(3-methoxyphenyl)benzoate
CID 159811718
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53218416
methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate
CID 67961149
methyl 4-(3-chloro-4-fluorophenyl)-3-fluorobenzoate
CID 75488399
methyl 3-fluoro-4-isocyanobenzoate
CID 55265438
3-fluoro-4-(1-methylpyrazol-4-yl)benzoic acid;methyl 3-fluoro-4-(1-methylpyrazol-4-yl)benzoate
CID 162091971
methyl 3-fluoro-4-(3-methoxyphenyl)benzoate
CID 75488340
methyl 4-(5-bromo-2-hydroxyphenyl)-3-fluorobenzoate
CID 156807219
4-chloro-2-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53227913
methyl 1,3-difluoro-5-hydroxy-8,9-dihydro-7H-benzo[7]annulene-2-carboxylate
CID 163262409

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate?
The IUPAC name of methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate (CID 166570461) is methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate.
What is the SMILES notation for methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate?
The canonical SMILES for methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate is COC(=O)c1ccc(C2=CCCCC2)c(F)c1.
What is the InChIKey of methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate?
The InChIKey is XVXAWDYKBMUPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c1-17-14(16)11-7-8-12(13(15)9-11)10-5-3-2-4-6-10/h5,7-9H,2-4,6H2,1H3.
What are the key properties of methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate?
methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate has a molecular weight of 234.27 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate is sourced from PubChem (CID 166570461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).