ethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate

C14H21FO2 — CID 171855253

IUPACethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate
SMILESCCOC(=O)/C(F)=C/C1CC1C1CCCCC1
InChIInChI=1S/C14H21FO2/c1-2-17-14(16)13(15)9-11-8-12(11)10-6-4-3-5-7-10/h9-12H,2-8H2,1H3/b13-9-
InChIKeyWFFJNMIDLFGYQG-LCYFTJDESA-N
MW240.32 g/mol
LogP3.62
Rot. Bonds4

About ethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate

ethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate (PubChem CID 171855253) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is ethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate
PubChem CID171855253
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Nameethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate
SMILESCCOC(=O)/C(F)=C/C1CC1C1CCCCC1
InChIInChI=1S/C14H21FO2/c1-2-17-14(16)13(15)9-11-8-12(11)10-6-4-3-5-7-10/h9-12H,2-8H2,1H3/b13-9-
InChIKeyWFFJNMIDLFGYQG-LCYFTJDESA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.62
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 (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate (CID 171855253) is ethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate is CCOC(=O)/C(F)=C/C1CC1C1CCCCC1.
What is the InChIKey of ethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate?
The InChIKey is WFFJNMIDLFGYQG-LCYFTJDESA-N. The full InChI is InChI=1S/C14H21FO2/c1-2-17-14(16)13(15)9-11-8-12(11)10-6-4-3-5-7-10/h9-12H,2-8H2,1H3/b13-9-.
What are the key properties of ethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate?
ethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate has a molecular weight of 240.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(2-cyclohexylcyclopropyl)-2-fluoroprop-2-enoate is sourced from PubChem (CID 171855253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).