ethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate

C12H14FNO2 — CID 59364058

IUPACethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(N)cc1F
InChIInChI=1S/C12H14FNO2/c1-2-16-12(15)10-6-9(10)8-4-3-7(14)5-11(8)13/h3-5,9-10H,2,6,14H2,1H3
InChIKeyOKLNJWMCKQKPNY-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.07
Rot. Bonds3

About ethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate

ethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 59364058) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is ethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID59364058
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Nameethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(N)cc1F
InChIInChI=1S/C12H14FNO2/c1-2-16-12(15)10-6-9(10)8-4-3-7(14)5-11(8)13/h3-5,9-10H,2,6,14H2,1H3
InChIKeyOKLNJWMCKQKPNY-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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

4-Aminohydratropic acid
CID 43026
4-(4-Aminophenyl)butanoic acid
CID 27049
2-(4-Aminophenyl)butanoic acid
CID 34655
p-Aminophenylacetic acid ethyl ester
CID 225219
n-Butyl 4-aminophenylacetate
CID 12238924
Methyl 3-(4-aminophenyl)propanoate
CID 417374
Tert-butyl 2-(4-aminophenyl)acetate
CID 2760930
Methyl 2-(4-aminophenyl)propionate
CID 3016109
Ethyl 3-(4-aminophenyl)propanoate
CID 10442595
Dimethyl 2-(4-aminophenyl)malonate
CID 3814506
Methyl 2-(4-amino-3-iodophenyl)acetate
CID 46941390
Ethyl 3-(3-Aminophenyl)propionate
CID 82314

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate (CID 59364058) is ethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1ccc(N)cc1F.
What is the InChIKey of ethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is OKLNJWMCKQKPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-2-16-12(15)10-6-9(10)8-4-3-7(14)5-11(8)13/h3-5,9-10H,2,6,14H2,1H3.
What are the key properties of ethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate?
ethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-2-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 59364058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).