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

C11H17FO2 — CID 138979949

IUPACethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate
SMILESCCOC(=O)/C=C(\F)C1CCCCC1
InChIInChI=1S/C11H17FO2/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8-
InChIKeyHKLHPIAWKIXBCD-NTMALXAHSA-N
MW200.25 g/mol
LogP2.98
Rot. Bonds3

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

ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate (PubChem CID 138979949) has the molecular formula C11H17FO2 and a molecular weight of 200.25 g/mol. Its IUPAC name is ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate
PubChem CID138979949
Molecular FormulaC11H17FO2
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Nameethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate
SMILESCCOC(=O)/C=C(\F)C1CCCCC1
InChIInChI=1S/C11H17FO2/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8-
InChIKeyHKLHPIAWKIXBCD-NTMALXAHSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate?
The IUPAC name of ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate (CID 138979949) is ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate is CCOC(=O)/C=C(\F)C1CCCCC1.
What is the InChIKey of ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate?
The InChIKey is HKLHPIAWKIXBCD-NTMALXAHSA-N. The full InChI is InChI=1S/C11H17FO2/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8-.
What are the key properties of ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate?
ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate has a molecular weight of 200.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate is sourced from PubChem (CID 138979949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).