ethyl 2-fluoro-4-phenylpent-4-enoate

C13H15FO2 — CID 166658649

IUPACethyl 2-fluoro-4-phenylpent-4-enoate
SMILESC=C(CC(F)C(=O)OCC)c1ccccc1
InChIInChI=1S/C13H15FO2/c1-3-16-13(15)12(14)9-10(2)11-7-5-4-6-8-11/h4-8,12H,2-3,9H2,1H3
InChIKeyJICAKLSWTBSQNK-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.99
Rot. Bonds5

About ethyl 2-fluoro-4-phenylpent-4-enoate

ethyl 2-fluoro-4-phenylpent-4-enoate (PubChem CID 166658649) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is ethyl 2-fluoro-4-phenylpent-4-enoate.

Molecular Properties

Compound Nameethyl 2-fluoro-4-phenylpent-4-enoate
PubChem CID166658649
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Nameethyl 2-fluoro-4-phenylpent-4-enoate
SMILESC=C(CC(F)C(=O)OCC)c1ccccc1
InChIInChI=1S/C13H15FO2/c1-3-16-13(15)12(14)9-10(2)11-7-5-4-6-8-11/h4-8,12H,2-3,9H2,1H3
InChIKeyJICAKLSWTBSQNK-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
triethyl 4-phenylpent-4-ene-1,1,2-tricarboxylate
CID 162400604
ethyl (2R)-2-(benzhydrylamino)-4-phenylpent-4-enoate
CID 58666213
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
butyl 2-hydroxy-4-phenylpent-4-enoate
CID 15878269
tert-butyl-[[(2R)-1-ethoxy-1-oxo-4-phenylpent-4-en-2-yl]amino]-hydroxysulfanium
CID 143200350
ethyl 2-[[(S)-tert-butylsulfinyl]amino]-4-phenylpent-4-enoate
CID 11602245
ethyl 5-phenylhex-5-enoate
CID 146276439
propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 102028913
ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate
CID 122375941
3-hydroxy-5-phenylhex-5-en-2-one
CID 129060443
ethyl 1-phenylethenyl carbonate
CID 10081285

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-4-phenylpent-4-enoate?
The IUPAC name of ethyl 2-fluoro-4-phenylpent-4-enoate (CID 166658649) is ethyl 2-fluoro-4-phenylpent-4-enoate.
What is the SMILES notation for ethyl 2-fluoro-4-phenylpent-4-enoate?
The canonical SMILES for ethyl 2-fluoro-4-phenylpent-4-enoate is C=C(CC(F)C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 2-fluoro-4-phenylpent-4-enoate?
The InChIKey is JICAKLSWTBSQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-3-16-13(15)12(14)9-10(2)11-7-5-4-6-8-11/h4-8,12H,2-3,9H2,1H3.
What are the key properties of ethyl 2-fluoro-4-phenylpent-4-enoate?
ethyl 2-fluoro-4-phenylpent-4-enoate has a molecular weight of 222.26 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-4-phenylpent-4-enoate is sourced from PubChem (CID 166658649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).