methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate

C13H16FNO2 — CID 116944325

IUPACmethyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(C(N)c2ccccc2F)CCC1
InChIInChI=1S/C13H16FNO2/c1-17-12(16)13(7-4-8-13)11(15)9-5-2-3-6-10(9)14/h2-3,5-6,11H,4,7-8,15H2,1H3
InChIKeyRSFZCOIBTWJZIV-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.17
Rot. Bonds3

About methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate

methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate (PubChem CID 116944325) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate
PubChem CID116944325
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(C(N)c2ccccc2F)CCC1
InChIInChI=1S/C13H16FNO2/c1-17-12(16)13(7-4-8-13)11(15)9-5-2-3-6-10(9)14/h2-3,5-6,11H,4,7-8,15H2,1H3
InChIKeyRSFZCOIBTWJZIV-UHFFFAOYSA-N
XLogP2.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[amino-(5-bromo-2-fluorophenyl)methyl]cyclobutane-1-carboxylate
CID 116944321
methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate
CID 116944424
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964
methyl 1-[amino-(5-bromo-2-methylphenyl)methyl]cyclobutane-1-carboxylate
CID 116944322
methyl 1-[(2-bromophenyl)-(methylamino)methyl]cyclobutane-1-carboxylate
CID 116959138
methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate
CID 116959124
[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol
CID 116944249
methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate
CID 115012255
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
1-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 116944054
2-(1-aminocyclobutyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 81379814
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488

Frequently Asked Questions

What is the IUPAC name of methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate (CID 116944325) is methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate is COC(=O)C1(C(N)c2ccccc2F)CCC1.
What is the InChIKey of methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate?
The InChIKey is RSFZCOIBTWJZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-12(16)13(7-4-8-13)11(15)9-5-2-3-6-10(9)14/h2-3,5-6,11H,4,7-8,15H2,1H3.
What are the key properties of methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate?
methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 116944325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).