ethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate

C10H15FO2 — CID 23166311

IUPACethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate
SMILESCCOC(=O)/C(F)=C\C1CC1(C)C
InChIInChI=1S/C10H15FO2/c1-4-13-9(12)8(11)5-7-6-10(7,2)3/h5,7H,4,6H2,1-3H3/b8-5+
InChIKeyWXEASWYFCGPEGR-VMPITWQZSA-N
MW186.23 g/mol
LogP2.45
Rot. Bonds3

About ethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate

ethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate (PubChem CID 23166311) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is ethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate
PubChem CID23166311
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Nameethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate
SMILESCCOC(=O)/C(F)=C\C1CC1(C)C
InChIInChI=1S/C10H15FO2/c1-4-13-9(12)8(11)5-7-6-10(7,2)3/h5,7H,4,6H2,1-3H3/b8-5+
InChIKeyWXEASWYFCGPEGR-VMPITWQZSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate?
The IUPAC name of ethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate (CID 23166311) is ethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate is CCOC(=O)/C(F)=C\C1CC1(C)C.
What is the InChIKey of ethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate?
The InChIKey is WXEASWYFCGPEGR-VMPITWQZSA-N. The full InChI is InChI=1S/C10H15FO2/c1-4-13-9(12)8(11)5-7-6-10(7,2)3/h5,7H,4,6H2,1-3H3/b8-5+.
What are the key properties of ethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate?
ethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate has a molecular weight of 186.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2,2-dimethylcyclopropyl)-2-fluoroprop-2-enoate is sourced from PubChem (CID 23166311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).