cyclopropylmethyl 3-amino-4-fluorobenzoate

C11H12FNO2 — CID 61150324

IUPACcyclopropylmethyl 3-amino-4-fluorobenzoate
SMILESNc1cc(C(=O)OCC2CC2)ccc1F
InChIInChI=1S/C11H12FNO2/c12-9-4-3-8(5-10(9)13)11(14)15-6-7-1-2-7/h3-5,7H,1-2,6,13H2
InChIKeyOEWXJBHNWPSSQG-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.97
Rot. Bonds3

About cyclopropylmethyl 3-amino-4-fluorobenzoate

cyclopropylmethyl 3-amino-4-fluorobenzoate (PubChem CID 61150324) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is cyclopropylmethyl 3-amino-4-fluorobenzoate.

Molecular Properties

Compound Namecyclopropylmethyl 3-amino-4-fluorobenzoate
PubChem CID61150324
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Namecyclopropylmethyl 3-amino-4-fluorobenzoate
SMILESNc1cc(C(=O)OCC2CC2)ccc1F
InChIInChI=1S/C11H12FNO2/c12-9-4-3-8(5-10(9)13)11(14)15-6-7-1-2-7/h3-5,7H,1-2,6,13H2
InChIKeyOEWXJBHNWPSSQG-UHFFFAOYSA-N
XLogP1.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cyclohexylmethyl 3-amino-4-fluorobenzoate
CID 61322434
oxan-2-ylmethyl 3-amino-4-fluorobenzoate
CID 61279862
[4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate
CID 59172643
cyclopentyl 3-amino-4-fluorobenzoate
CID 61279217
bis[[4-(hydroxymethyl)cyclohexyl]methyl] naphthalene-2,6-dicarboxylate
CID 54489538
propyl 3-amino-4-fluorobenzoate
CID 60834719
methoxymethyl 3-amino-4-fluorobenzoate
CID 65364698
[4-(naphthalene-2-carbonyloxymethyl)cyclohexyl]methyl naphthalene-2-carboxylate
CID 59172646
3-(2-methoxyethoxy)propyl 3-amino-4-fluorobenzoate
CID 103403556
[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate
CID 20530766
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
(4-methylcyclohexyl) 3-amino-4-fluorobenzoate
CID 61276815

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-amino-4-fluorobenzoate?
The IUPAC name of cyclopropylmethyl 3-amino-4-fluorobenzoate (CID 61150324) is cyclopropylmethyl 3-amino-4-fluorobenzoate.
What is the SMILES notation for cyclopropylmethyl 3-amino-4-fluorobenzoate?
The canonical SMILES for cyclopropylmethyl 3-amino-4-fluorobenzoate is Nc1cc(C(=O)OCC2CC2)ccc1F.
What is the InChIKey of cyclopropylmethyl 3-amino-4-fluorobenzoate?
The InChIKey is OEWXJBHNWPSSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-4-3-8(5-10(9)13)11(14)15-6-7-1-2-7/h3-5,7H,1-2,6,13H2.
What are the key properties of cyclopropylmethyl 3-amino-4-fluorobenzoate?
cyclopropylmethyl 3-amino-4-fluorobenzoate has a molecular weight of 209.22 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3-amino-4-fluorobenzoate is sourced from PubChem (CID 61150324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).