ethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate

C11H17FO2 — CID 101463864

IUPACethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate
SMILESCCOC(=O)/C(F)=C1\CCCC(C)C1
InChIInChI=1S/C11H17FO2/c1-3-14-11(13)10(12)9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3/b10-9-
InChIKeyXEAYLVBCJNKVJG-KTKRTIGZSA-N
MW200.25 g/mol
LogP2.98
Rot. Bonds2

About ethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate

ethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate (PubChem CID 101463864) has the molecular formula C11H17FO2 and a molecular weight of 200.25 g/mol. Its IUPAC name is ethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate
PubChem CID101463864
Molecular FormulaC11H17FO2
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Nameethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate
SMILESCCOC(=O)/C(F)=C1\CCCC(C)C1
InChIInChI=1S/C11H17FO2/c1-3-14-11(13)10(12)9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3/b10-9-
InChIKeyXEAYLVBCJNKVJG-KTKRTIGZSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.98
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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Related Compounds

(E)-Ethyl 3-cyclohexylacrylate
CID 5358357
ethyl (E)-3-cyclohex-2-en-1-yl-4,4,4-trifluorobut-2-enoate
CID 135008238
Ethyl (Z)-3-cyclohexylacrylate
CID 5358359
Ethyl 3-cyclohexyl-2-methylprop-2-enoate
CID 11264057
Acetic acid, (2-methylcyclohexylidene)-, methyl ester, (Z)-
CID 10241197
Methyl 2-(2-methylcyclohexylidene)acetate
CID 10329709
Methyl (2-methylcyclohexylidene)acetate
CID 71356979
Ethyl 3-cyclohexyl-2-fluoroprop-2-enoate
CID 11310164
CID 72796077
CID 72796077
Ethyl 2-(4-tert-butylcyclohexylidene)-2-fluoroacetate
CID 102572558
ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate
CID 138979949
tert-butyl (E)-3-cyclohexyl-2-fluoroprop-2-enoate
CID 176421970

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate?
The IUPAC name of ethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate (CID 101463864) is ethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate is CCOC(=O)/C(F)=C1\CCCC(C)C1.
What is the InChIKey of ethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate?
The InChIKey is XEAYLVBCJNKVJG-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H17FO2/c1-3-14-11(13)10(12)9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3/b10-9-.
What are the key properties of ethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate?
ethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate has a molecular weight of 200.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-fluoro-2-(3-methylcyclohexylidene)acetate is sourced from PubChem (CID 101463864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).