ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate

C10H15FO2 — CID 42636645

IUPACethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate
SMILESCCOC(=O)/C(F)=C1/CCC(C)C1
InChIInChI=1S/C10H15FO2/c1-3-13-10(12)9(11)8-5-4-7(2)6-8/h7H,3-6H2,1-2H3/b9-8+
InChIKeyIGVISIJIPHHYDT-CMDGGOBGSA-N
MW186.23 g/mol
LogP2.59
Rot. Bonds2

About ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate

ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate (PubChem CID 42636645) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate
PubChem CID42636645
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Nameethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate
SMILESCCOC(=O)/C(F)=C1/CCC(C)C1
InChIInChI=1S/C10H15FO2/c1-3-13-10(12)9(11)8-5-4-7(2)6-8/h7H,3-6H2,1-2H3/b9-8+
InChIKeyIGVISIJIPHHYDT-CMDGGOBGSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate 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

Ethyl 3-cyclopropyl-2-fluorobut-2-enoate
CID 125449165
ethyl (2E)-2-(3-methylcyclopentylidene)acetate
CID 14735761
ethyl (E)-3-cyclopentylbut-2-enoate
CID 89095864
Ethyl cyclopentylidene(fluoro)acetate
CID 71337151
ethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate
CID 101463864
ethyl (E)-3-cyclopentyl-4,4,4-trifluorobut-2-enoate
CID 15002816
Ethyl 3-cyclopentyl-4,4,4-trifluorobut-2-enoate
CID 54187647
ethyl (Z)-3-[(3R,4S)-3,4-difluorocyclopentyl]prop-2-enoate
CID 58328418
ethyl (Z)-2-fluoro-3-methylhept-2-enoate
CID 58696422
Ethyl 2-fluoro-3-methylhept-2-enoate
CID 72394593
ethyl 3-[(3S,4R)-3,4-difluorocyclopentyl]prop-2-enoate
CID 123873524
ethyl (E)-3-cyclopropyl-2-fluorobut-2-enoate
CID 126623050

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate?
The IUPAC name of ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate (CID 42636645) is ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate?
The canonical SMILES for ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate is CCOC(=O)/C(F)=C1/CCC(C)C1.
What is the InChIKey of ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate?
The InChIKey is IGVISIJIPHHYDT-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H15FO2/c1-3-13-10(12)9(11)8-5-4-7(2)6-8/h7H,3-6H2,1-2H3/b9-8+.
What are the key properties of ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate?
ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate has a molecular weight of 186.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate is sourced from PubChem (CID 42636645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).