methyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate

C7H9FO3 — CID 67690053

IUPACmethyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1CC(F)=CC1O
InChIInChI=1S/C7H9FO3/c1-11-7(10)5-2-4(8)3-6(5)9/h3,5-6,9H,2H2,1H3
InChIKeyWWMMHGJEYPRPKG-UHFFFAOYSA-N
MW160.14 g/mol
LogP0.39
Rot. Bonds1

About methyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate

methyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate (PubChem CID 67690053) has the molecular formula C7H9FO3 and a molecular weight of 160.14 g/mol. Its IUPAC name is methyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate
PubChem CID67690053
Molecular FormulaC7H9FO3
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Namemethyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1CC(F)=CC1O
InChIInChI=1S/C7H9FO3/c1-11-7(10)5-2-4(8)3-6(5)9/h3,5-6,9H,2H2,1H3
InChIKeyWWMMHGJEYPRPKG-UHFFFAOYSA-N
XLogP0.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate?
The IUPAC name of methyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate (CID 67690053) is methyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate.
What is the SMILES notation for methyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate?
The canonical SMILES for methyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate is COC(=O)C1CC(F)=CC1O.
What is the InChIKey of methyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate?
The InChIKey is WWMMHGJEYPRPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO3/c1-11-7(10)5-2-4(8)3-6(5)9/h3,5-6,9H,2H2,1H3.
What are the key properties of methyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate?
methyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate has a molecular weight of 160.14 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-hydroxycyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 67690053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).