ethyl (Z)-3-fluoro-2-propylhex-2-enoate

C11H19FO2 — CID 102044202

IUPACethyl (Z)-3-fluoro-2-propylhex-2-enoate
SMILESCCC/C(F)=C(\CCC)C(=O)OCC
InChIInChI=1S/C11H19FO2/c1-4-7-9(10(12)8-5-2)11(13)14-6-3/h4-8H2,1-3H3/b10-9-
InChIKeyQZOCKGYPQHAJNH-KTKRTIGZSA-N
MW202.27 g/mol
LogP3.37
Rot. Bonds6

About ethyl (Z)-3-fluoro-2-propylhex-2-enoate

ethyl (Z)-3-fluoro-2-propylhex-2-enoate (PubChem CID 102044202) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is ethyl (Z)-3-fluoro-2-propylhex-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-fluoro-2-propylhex-2-enoate
PubChem CID102044202
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Nameethyl (Z)-3-fluoro-2-propylhex-2-enoate
SMILESCCC/C(F)=C(\CCC)C(=O)OCC
InChIInChI=1S/C11H19FO2/c1-4-7-9(10(12)8-5-2)11(13)14-6-3/h4-8H2,1-3H3/b10-9-
InChIKeyQZOCKGYPQHAJNH-KTKRTIGZSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.37
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-fluoro-2-propylhex-2-enoate?
The IUPAC name of ethyl (Z)-3-fluoro-2-propylhex-2-enoate (CID 102044202) is ethyl (Z)-3-fluoro-2-propylhex-2-enoate.
What is the SMILES notation for ethyl (Z)-3-fluoro-2-propylhex-2-enoate?
The canonical SMILES for ethyl (Z)-3-fluoro-2-propylhex-2-enoate is CCC/C(F)=C(\CCC)C(=O)OCC.
What is the InChIKey of ethyl (Z)-3-fluoro-2-propylhex-2-enoate?
The InChIKey is QZOCKGYPQHAJNH-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H19FO2/c1-4-7-9(10(12)8-5-2)11(13)14-6-3/h4-8H2,1-3H3/b10-9-.
What are the key properties of ethyl (Z)-3-fluoro-2-propylhex-2-enoate?
ethyl (Z)-3-fluoro-2-propylhex-2-enoate has a molecular weight of 202.27 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-fluoro-2-propylhex-2-enoate is sourced from PubChem (CID 102044202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).