methyl (Z)-10-chloro-10-fluorodec-9-enoate

C11H18ClFO2 — CID 162624096

IUPACmethyl (Z)-10-chloro-10-fluorodec-9-enoate
SMILESCOC(=O)CCCCCCC/C=C(/F)Cl
InChIInChI=1S/C11H18ClFO2/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h8H,2-7,9H2,1H3/b10-8+
InChIKeyUPUDJBRDRDWMAA-CSKARUKUSA-N
MW236.71 g/mol
LogP3.94
Rot. Bonds8

About methyl (Z)-10-chloro-10-fluorodec-9-enoate

methyl (Z)-10-chloro-10-fluorodec-9-enoate (PubChem CID 162624096) has the molecular formula C11H18ClFO2 and a molecular weight of 236.71 g/mol. Its IUPAC name is methyl (Z)-10-chloro-10-fluorodec-9-enoate.

Molecular Properties

Compound Namemethyl (Z)-10-chloro-10-fluorodec-9-enoate
PubChem CID162624096
Molecular FormulaC11H18ClFO2
Molecular Weight236.71 g/mol
Exact Mass236.10
IUPAC Namemethyl (Z)-10-chloro-10-fluorodec-9-enoate
SMILESCOC(=O)CCCCCCC/C=C(/F)Cl
InChIInChI=1S/C11H18ClFO2/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h8H,2-7,9H2,1H3/b10-8+
InChIKeyUPUDJBRDRDWMAA-CSKARUKUSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (Z)-10-chloro-10-fluorodec-9-enoate 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 13-methyltetradec-12-enoate
CID 24973726
dimethyl (E)-triacont-15-enedioate
CID 10767955
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
methyl 10-oxodecanoate
CID 519005
methyl 13-oxotridecanoate
CID 10331995
methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate
CID 162624154
dimethyl (11E,13E,15E,17E,19E,21E)-dotriaconta-11,13,15,17,19,21-hexaenedioate
CID 12073776
methyl (E)-19-iodononadec-18-enoate
CID 13463205
methyl (E)-11-iodoundec-10-enoate
CID 12653836
dimethyl (E)-hexacos-3-enedioate
CID 118195406

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-10-chloro-10-fluorodec-9-enoate?
The IUPAC name of methyl (Z)-10-chloro-10-fluorodec-9-enoate (CID 162624096) is methyl (Z)-10-chloro-10-fluorodec-9-enoate.
What is the SMILES notation for methyl (Z)-10-chloro-10-fluorodec-9-enoate?
The canonical SMILES for methyl (Z)-10-chloro-10-fluorodec-9-enoate is COC(=O)CCCCCCC/C=C(/F)Cl.
What is the InChIKey of methyl (Z)-10-chloro-10-fluorodec-9-enoate?
The InChIKey is UPUDJBRDRDWMAA-CSKARUKUSA-N. The full InChI is InChI=1S/C11H18ClFO2/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h8H,2-7,9H2,1H3/b10-8+.
What are the key properties of methyl (Z)-10-chloro-10-fluorodec-9-enoate?
methyl (Z)-10-chloro-10-fluorodec-9-enoate has a molecular weight of 236.71 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-10-chloro-10-fluorodec-9-enoate is sourced from PubChem (CID 162624096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).