methyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate

C12H14FNO2 — CID 58915205

IUPACmethyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(CN)c(F)c2)CC1
InChIInChI=1S/C12H14FNO2/c1-16-11(15)12(4-5-12)9-3-2-8(7-14)10(13)6-9/h2-3,6H,4-5,7,14H2,1H3
InChIKeyBXLHRWCGEJXMIZ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.49
Rot. Bonds3

About methyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate

methyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate (PubChem CID 58915205) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate
PubChem CID58915205
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Namemethyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(CN)c(F)c2)CC1
InChIInChI=1S/C12H14FNO2/c1-16-11(15)12(4-5-12)9-3-2-8(7-14)10(13)6-9/h2-3,6H,4-5,7,14H2,1H3
InChIKeyBXLHRWCGEJXMIZ-UHFFFAOYSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate (CID 58915205) is methyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate is COC(=O)C1(c2ccc(CN)c(F)c2)CC1.
What is the InChIKey of methyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate?
The InChIKey is BXLHRWCGEJXMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-16-11(15)12(4-5-12)9-3-2-8(7-14)10(13)6-9/h2-3,6H,4-5,7,14H2,1H3.
What are the key properties of methyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate?
methyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(aminomethyl)-3-fluorophenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 58915205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).