methyl 5-cyclopropyl-2-fluorobenzoate

C11H11FO2 — CID 126696591

IUPACmethyl 5-cyclopropyl-2-fluorobenzoate
SMILESCOC(=O)c1cc(C2CC2)ccc1F
InChIInChI=1S/C11H11FO2/c1-14-11(13)9-6-8(7-2-3-7)4-5-10(9)12/h4-7H,2-3H2,1H3
InChIKeyVIKRRADCIPESBR-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.49
Rot. Bonds2

About methyl 5-cyclopropyl-2-fluorobenzoate

methyl 5-cyclopropyl-2-fluorobenzoate (PubChem CID 126696591) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is methyl 5-cyclopropyl-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-2-fluorobenzoate
PubChem CID126696591
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Namemethyl 5-cyclopropyl-2-fluorobenzoate
SMILESCOC(=O)c1cc(C2CC2)ccc1F
InChIInChI=1S/C11H11FO2/c1-14-11(13)9-6-8(7-2-3-7)4-5-10(9)12/h4-7H,2-3H2,1H3
InChIKeyVIKRRADCIPESBR-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-2-fluorobenzoate?
The IUPAC name of methyl 5-cyclopropyl-2-fluorobenzoate (CID 126696591) is methyl 5-cyclopropyl-2-fluorobenzoate.
What is the SMILES notation for methyl 5-cyclopropyl-2-fluorobenzoate?
The canonical SMILES for methyl 5-cyclopropyl-2-fluorobenzoate is COC(=O)c1cc(C2CC2)ccc1F.
What is the InChIKey of methyl 5-cyclopropyl-2-fluorobenzoate?
The InChIKey is VIKRRADCIPESBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-14-11(13)9-6-8(7-2-3-7)4-5-10(9)12/h4-7H,2-3H2,1H3.
What are the key properties of methyl 5-cyclopropyl-2-fluorobenzoate?
methyl 5-cyclopropyl-2-fluorobenzoate has a molecular weight of 194.20 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-2-fluorobenzoate is sourced from PubChem (CID 126696591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).