ethyl (Z)-2-benzyl-3-fluorohex-3-enoate

C15H19FO2 — CID 176961783

IUPACethyl (Z)-2-benzyl-3-fluorohex-3-enoate
SMILESCC/C=C(\F)C(Cc1ccccc1)C(=O)OCC
InChIInChI=1S/C15H19FO2/c1-3-8-14(16)13(15(17)18-4-2)11-12-9-6-5-7-10-12/h5-10,13H,3-4,11H2,1-2H3/b14-8-
InChIKeySYTRHSWKAARBMX-ZSOIEALJSA-N
MW250.31 g/mol
LogP3.67
Rot. Bonds6

About ethyl (Z)-2-benzyl-3-fluorohex-3-enoate

ethyl (Z)-2-benzyl-3-fluorohex-3-enoate (PubChem CID 176961783) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is ethyl (Z)-2-benzyl-3-fluorohex-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-benzyl-3-fluorohex-3-enoate
PubChem CID176961783
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Nameethyl (Z)-2-benzyl-3-fluorohex-3-enoate
SMILESCC/C=C(\F)C(Cc1ccccc1)C(=O)OCC
InChIInChI=1S/C15H19FO2/c1-3-8-14(16)13(15(17)18-4-2)11-12-9-6-5-7-10-12/h5-10,13H,3-4,11H2,1-2H3/b14-8-
InChIKeySYTRHSWKAARBMX-ZSOIEALJSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl (Z)-2-benzyl-3-fluorohex-3-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
2-benzyl-3-ethoxy-3-oxopropanoic acid;ethane
CID 91542343
ethyl (2R)-2-benzyl-3-oxopentanoate
CID 102294334
diethyl 2-(2-methyl-3-phenylpropyl)propanedioate
CID 174407288
ethyl 2-benzyl-3-oxo-3-(phenylmethoxyamino)propanoate
CID 57483942
2-ethoxycarbonyl-4-methyl-5-phenylpentanoic acid
CID 174946151
ethyl (2R)-2-benzyl-3-oxononanoate
CID 102294335
ethyl 2-benzyl-3-(furan-2-yl)-3-oxopropanoate
CID 3804703
ethyl 2-benzyl-3-[methoxy(methyl)amino]-3-oxopropanoate
CID 59364045
1-O-ethyl 6-O-methyl (2R)-2-benzyl-3-oxohexanedioate
CID 102294330
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethane;ethyl 2-benzyl-3-oxopropanoate
CID 91521387

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-benzyl-3-fluorohex-3-enoate?
The IUPAC name of ethyl (Z)-2-benzyl-3-fluorohex-3-enoate (CID 176961783) is ethyl (Z)-2-benzyl-3-fluorohex-3-enoate.
What is the SMILES notation for ethyl (Z)-2-benzyl-3-fluorohex-3-enoate?
The canonical SMILES for ethyl (Z)-2-benzyl-3-fluorohex-3-enoate is CC/C=C(\F)C(Cc1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl (Z)-2-benzyl-3-fluorohex-3-enoate?
The InChIKey is SYTRHSWKAARBMX-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H19FO2/c1-3-8-14(16)13(15(17)18-4-2)11-12-9-6-5-7-10-12/h5-10,13H,3-4,11H2,1-2H3/b14-8-.
What are the key properties of ethyl (Z)-2-benzyl-3-fluorohex-3-enoate?
ethyl (Z)-2-benzyl-3-fluorohex-3-enoate has a molecular weight of 250.31 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-benzyl-3-fluorohex-3-enoate is sourced from PubChem (CID 176961783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).