ethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate

C8H13FO3 — CID 15709367

IUPACethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate
SMILESCCOC(=O)/C(F)=C/[C@@H](C)CO
InChIInChI=1S/C8H13FO3/c1-3-12-8(11)7(9)4-6(2)5-10/h4,6,10H,3,5H2,1-2H3/b7-4-/t6-/m1/s1
InChIKeyGJMXYRQLKIXUAL-CDXJMXTPSA-N
MW176.19 g/mol
LogP1.03
Rot. Bonds4

About ethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate

ethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate (PubChem CID 15709367) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is ethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate
PubChem CID15709367
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Nameethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate
SMILESCCOC(=O)/C(F)=C/[C@@H](C)CO
InChIInChI=1S/C8H13FO3/c1-3-12-8(11)7(9)4-6(2)5-10/h4,6,10H,3,5H2,1-2H3/b7-4-/t6-/m1/s1
InChIKeyGJMXYRQLKIXUAL-CDXJMXTPSA-N
XLogP1.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-2-fluoro-4-methylhex-2-enoate
CID 24806138
ethyl (E)-2-fluorobut-2-enoate
CID 15594785
ethyl (Z)-2-fluoropent-2-enoate
CID 14691806
sodium;ethyl 2-fluoro-3-hydroxyprop-2-enoate;hydride
CID 173046033
ethyl (Z)-2-acetyl-4-methylhex-2-enoate
CID 25137440
diethyl (Z)-2-fluoropent-2-enedioate
CID 15698213
ethyl (E)-2,4-dimethylhex-2-enoate
CID 12550546
ethyl carbonofluoridate;bis(2-methylbutane)
CID 90813116
ethyl (Z)-2-amino-4-methylpent-2-enoate
CID 12541124
diethyl (E)-2-fluoro-3-propan-2-ylbut-2-enedioate
CID 11096459
ethyl (E)-2-fluoro-5,5-dimethylhex-2-enoate
CID 71480714
(3-ethoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate
CID 70472016

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate?
The IUPAC name of ethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate (CID 15709367) is ethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate.
What is the SMILES notation for ethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate?
The canonical SMILES for ethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate is CCOC(=O)/C(F)=C/[C@@H](C)CO.
What is the InChIKey of ethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate?
The InChIKey is GJMXYRQLKIXUAL-CDXJMXTPSA-N. The full InChI is InChI=1S/C8H13FO3/c1-3-12-8(11)7(9)4-6(2)5-10/h4,6,10H,3,5H2,1-2H3/b7-4-/t6-/m1/s1.
What are the key properties of ethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate?
ethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate has a molecular weight of 176.19 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate is sourced from PubChem (CID 15709367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).