ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate

C8H13FO2 — CID 51777340

IUPACethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate
SMILESCCOC(=O)/C=C(/C)[C@@H](C)F
InChIInChI=1S/C8H13FO2/c1-4-11-8(10)5-6(2)7(3)9/h5,7H,4H2,1-3H3/b6-5-/t7-/m1/s1
InChIKeyKERPLVDZOZNVKR-KXTMECRCSA-N
MW160.19 g/mol
LogP1.85
Rot. Bonds3

About ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate

ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate (PubChem CID 51777340) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate
PubChem CID51777340
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Nameethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate
SMILESCCOC(=O)/C=C(/C)[C@@H](C)F
InChIInChI=1S/C8H13FO2/c1-4-11-8(10)5-6(2)7(3)9/h5,7H,4H2,1-3H3/b6-5-/t7-/m1/s1
InChIKeyKERPLVDZOZNVKR-KXTMECRCSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.85
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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Related Compounds

ethyl 3,4-dimethylhept-2-enoate
CID 123957528
ethyl (2Z)-3,4,7-trimethylocta-2,6-dienoate
CID 14526716
CID 59042173
CID 59042173
ethyl (2E,4S,7S)-4-fluoro-3,7,11-trimethyldodeca-2,10-dienoate
CID 92533833
ethyl 3-hydroxybut-2-enoate
CID 54692957
ethyl (E)-3-amino-4-methylpent-2-enoate
CID 11579171
ethyl 3-hydroxy-4-methylpent-2-enoate
CID 71406966
CID 57369572
CID 57369572
ethyl (E)-3-prop-2-ynoxybut-2-enoate
CID 134974971
ethyl 3-acetyloxy-4-methylpent-2-enoate
CID 71368542
(E)-4-fluoro-3-methylpent-2-enoic acid
CID 23234140
ethyl (E)-3-(6-hydroxyhept-4-yn-3-yloxy)but-2-enoate
CID 122221407

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate?
The IUPAC name of ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate (CID 51777340) is ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate.
What is the SMILES notation for ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate?
The canonical SMILES for ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate is CCOC(=O)/C=C(/C)[C@@H](C)F.
What is the InChIKey of ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate?
The InChIKey is KERPLVDZOZNVKR-KXTMECRCSA-N. The full InChI is InChI=1S/C8H13FO2/c1-4-11-8(10)5-6(2)7(3)9/h5,7H,4H2,1-3H3/b6-5-/t7-/m1/s1.
What are the key properties of ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate?
ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate has a molecular weight of 160.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate is sourced from PubChem (CID 51777340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).