methyl (Z)-4-fluoro-3-hydroxyhex-4-enoate

C7H11FO3 — CID 88610378

IUPACmethyl (Z)-4-fluoro-3-hydroxyhex-4-enoate
SMILESC/C=C(\F)C(O)CC(=O)OC
InChIInChI=1S/C7H11FO3/c1-3-5(8)6(9)4-7(10)11-2/h3,6,9H,4H2,1-2H3/b5-3-
InChIKeyGKXNWTJBQLIYHT-HYXAFXHYSA-N
MW162.16 g/mol
LogP0.78
Rot. Bonds3

About methyl (Z)-4-fluoro-3-hydroxyhex-4-enoate

methyl (Z)-4-fluoro-3-hydroxyhex-4-enoate (PubChem CID 88610378) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is methyl (Z)-4-fluoro-3-hydroxyhex-4-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-fluoro-3-hydroxyhex-4-enoate
PubChem CID88610378
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Namemethyl (Z)-4-fluoro-3-hydroxyhex-4-enoate
SMILESC/C=C(\F)C(O)CC(=O)OC
InChIInChI=1S/C7H11FO3/c1-3-5(8)6(9)4-7(10)11-2/h3,6,9H,4H2,1-2H3/b5-3-
InChIKeyGKXNWTJBQLIYHT-HYXAFXHYSA-N
XLogP0.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-fluoro-3-hydroxyhex-4-enoate?
The IUPAC name of methyl (Z)-4-fluoro-3-hydroxyhex-4-enoate (CID 88610378) is methyl (Z)-4-fluoro-3-hydroxyhex-4-enoate.
What is the SMILES notation for methyl (Z)-4-fluoro-3-hydroxyhex-4-enoate?
The canonical SMILES for methyl (Z)-4-fluoro-3-hydroxyhex-4-enoate is C/C=C(\F)C(O)CC(=O)OC.
What is the InChIKey of methyl (Z)-4-fluoro-3-hydroxyhex-4-enoate?
The InChIKey is GKXNWTJBQLIYHT-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H11FO3/c1-3-5(8)6(9)4-7(10)11-2/h3,6,9H,4H2,1-2H3/b5-3-.
What are the key properties of methyl (Z)-4-fluoro-3-hydroxyhex-4-enoate?
methyl (Z)-4-fluoro-3-hydroxyhex-4-enoate has a molecular weight of 162.16 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-fluoro-3-hydroxyhex-4-enoate is sourced from PubChem (CID 88610378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).