methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate

C12H13FO2 — CID 75487964

IUPACmethyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2F)CCC1
InChIInChI=1S/C12H13FO2/c1-15-11(14)12(7-4-8-12)9-5-2-3-6-10(9)13/h2-3,5-6H,4,7-8H2,1H3
InChIKeyDQRUTVYCKLTLMR-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.42
Rot. Bonds2

About methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate

methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate (PubChem CID 75487964) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
PubChem CID75487964
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Namemethyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2F)CCC1
InChIInChI=1S/C12H13FO2/c1-15-11(14)12(7-4-8-12)9-5-2-3-6-10(9)13/h2-3,5-6H,4,7-8H2,1H3
InChIKeyDQRUTVYCKLTLMR-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate (CID 75487964) is methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate is COC(=O)C1(c2ccccc2F)CCC1.
What is the InChIKey of methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate?
The InChIKey is DQRUTVYCKLTLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-15-11(14)12(7-4-8-12)9-5-2-3-6-10(9)13/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate?
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate has a molecular weight of 208.23 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 75487964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).