ethyl (Z)-2-fluorohexadec-2-enoate

C18H33FO2 — CID 89415305

IUPACethyl (Z)-2-fluorohexadec-2-enoate
SMILESCCCCCCCCCCCCC/C=C(\F)C(=O)OCC
InChIInChI=1S/C18H33FO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21-4-2/h16H,3-15H2,1-2H3/b17-16-
InChIKeyXFFILTVHNPXFHA-MSUUIHNZSA-N
MW300.46 g/mol
LogP6.10
Rot. Bonds14

About ethyl (Z)-2-fluorohexadec-2-enoate

ethyl (Z)-2-fluorohexadec-2-enoate (PubChem CID 89415305) has the molecular formula C18H33FO2 and a molecular weight of 300.46 g/mol. Its IUPAC name is ethyl (Z)-2-fluorohexadec-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-fluorohexadec-2-enoate
PubChem CID89415305
Molecular FormulaC18H33FO2
Molecular Weight300.46 g/mol
Exact Mass300.25
IUPAC Nameethyl (Z)-2-fluorohexadec-2-enoate
SMILESCCCCCCCCCCCCC/C=C(\F)C(=O)OCC
InChIInChI=1S/C18H33FO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21-4-2/h16H,3-15H2,1-2H3/b17-16-
InChIKeyXFFILTVHNPXFHA-MSUUIHNZSA-N
XLogP6.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.46
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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diethyl (Z)-2-fluoropent-2-enedioate
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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-fluorohexadec-2-enoate?
The IUPAC name of ethyl (Z)-2-fluorohexadec-2-enoate (CID 89415305) is ethyl (Z)-2-fluorohexadec-2-enoate.
What is the SMILES notation for ethyl (Z)-2-fluorohexadec-2-enoate?
The canonical SMILES for ethyl (Z)-2-fluorohexadec-2-enoate is CCCCCCCCCCCCC/C=C(\F)C(=O)OCC.
What is the InChIKey of ethyl (Z)-2-fluorohexadec-2-enoate?
The InChIKey is XFFILTVHNPXFHA-MSUUIHNZSA-N. The full InChI is InChI=1S/C18H33FO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21-4-2/h16H,3-15H2,1-2H3/b17-16-.
What are the key properties of ethyl (Z)-2-fluorohexadec-2-enoate?
ethyl (Z)-2-fluorohexadec-2-enoate has a molecular weight of 300.46 g/mol, XLogP of 6.10, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-fluorohexadec-2-enoate is sourced from PubChem (CID 89415305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).