dimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate

C9H11FO4 — CID 135226188

IUPACdimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate
SMILESCOC(=O)C1=CC(F)C[C@H]1C(=O)OC
InChIInChI=1S/C9H11FO4/c1-13-8(11)6-3-5(10)4-7(6)9(12)14-2/h3,5,7H,4H2,1-2H3/t5?,7-/m1/s1
InChIKeyVRYVEJGHGNDPSM-NQPNHJOESA-N
MW202.18 g/mol
LogP0.62
Rot. Bonds2

About dimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate

dimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate (PubChem CID 135226188) has the molecular formula C9H11FO4 and a molecular weight of 202.18 g/mol. Its IUPAC name is dimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate
PubChem CID135226188
Molecular FormulaC9H11FO4
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Namedimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate
SMILESCOC(=O)C1=CC(F)C[C@H]1C(=O)OC
InChIInChI=1S/C9H11FO4/c1-13-8(11)6-3-5(10)4-7(6)9(12)14-2/h3,5,7H,4H2,1-2H3/t5?,7-/m1/s1
InChIKeyVRYVEJGHGNDPSM-NQPNHJOESA-N
XLogP0.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate?
The IUPAC name of dimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate (CID 135226188) is dimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate?
The canonical SMILES for dimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate is COC(=O)C1=CC(F)C[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate?
The InChIKey is VRYVEJGHGNDPSM-NQPNHJOESA-N. The full InChI is InChI=1S/C9H11FO4/c1-13-8(11)6-3-5(10)4-7(6)9(12)14-2/h3,5,7H,4H2,1-2H3/t5?,7-/m1/s1.
What are the key properties of dimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate?
dimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate has a molecular weight of 202.18 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate is sourced from PubChem (CID 135226188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).