methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate

C12H11FO2 — CID 164584289

IUPACmethyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate
SMILESCOC(=O)C12CC1(c1ccccc1F)C2
InChIInChI=1S/C12H11FO2/c1-15-10(14)12-6-11(12,7-12)8-4-2-3-5-9(8)13/h2-5H,6-7H2,1H3
InChIKeyQZDKILVTUSQBFG-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.03
Rot. Bonds2

About methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate

methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate (PubChem CID 164584289) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate
PubChem CID164584289
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Namemethyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate
SMILESCOC(=O)C12CC1(c1ccccc1F)C2
InChIInChI=1S/C12H11FO2/c1-15-10(14)12-6-11(12,7-12)8-4-2-3-5-9(8)13/h2-5H,6-7H2,1H3
InChIKeyQZDKILVTUSQBFG-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11152606
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methyl 3-methylbicyclo[1.1.0]butane-1-carboxylate
CID 12586517
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CID 102099332
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
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CID 56806394
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CID 178096692

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate?
The IUPAC name of methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate (CID 164584289) is methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate.
What is the SMILES notation for methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate?
The canonical SMILES for methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate is COC(=O)C12CC1(c1ccccc1F)C2.
What is the InChIKey of methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate?
The InChIKey is QZDKILVTUSQBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c1-15-10(14)12-6-11(12,7-12)8-4-2-3-5-9(8)13/h2-5H,6-7H2,1H3.
What are the key properties of methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate?
methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate has a molecular weight of 206.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluorophenyl)bicyclo[1.1.0]butane-1-carboxylate is sourced from PubChem (CID 164584289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).