(4-fluorophenyl)methyl 4-amino-3-fluorobenzoate

C14H11F2NO2 — CID 62682624

IUPAC(4-fluorophenyl)methyl 4-amino-3-fluorobenzoate
SMILESNc1ccc(C(=O)OCc2ccc(F)cc2)cc1F
InChIInChI=1S/C14H11F2NO2/c15-11-4-1-9(2-5-11)8-19-14(18)10-3-6-13(17)12(16)7-10/h1-7H,8,17H2
InChIKeyOZCZPBJRDACNOI-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.90
Rot. Bonds3

About (4-fluorophenyl)methyl 4-amino-3-fluorobenzoate

(4-fluorophenyl)methyl 4-amino-3-fluorobenzoate (PubChem CID 62682624) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 4-amino-3-fluorobenzoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 4-amino-3-fluorobenzoate
PubChem CID62682624
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name(4-fluorophenyl)methyl 4-amino-3-fluorobenzoate
SMILESNc1ccc(C(=O)OCc2ccc(F)cc2)cc1F
InChIInChI=1S/C14H11F2NO2/c15-11-4-1-9(2-5-11)8-19-14(18)10-3-6-13(17)12(16)7-10/h1-7H,8,17H2
InChIKeyOZCZPBJRDACNOI-UHFFFAOYSA-N
XLogP2.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.90
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

pyridin-4-ylmethyl 4-amino-3-fluorobenzoate
CID 55102687
(4-fluorophenyl)methyl 4-amino-3-methylbenzoate
CID 61322774
(4-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665526
(3-cyano-4-fluorophenyl)methyl 4-amino-3-fluorobenzoate
CID 103758706
(3-cyanophenyl)methyl 4-amino-3-fluorobenzoate
CID 62682433
(4-chlorophenyl)methyl 4-amino-3-chlorobenzoate
CID 64687569
(4-fluorophenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 62814938
2-methoxyethyl 4-amino-3-fluorobenzoate
CID 62681168
(4-bromo-3-fluorophenyl)methyl 4-bromo-3-fluorobenzoate
CID 70164976
3-fluoropropyl 4-amino-3-fluorobenzoate
CID 81114032
(2,5-dimethylphenyl)methyl 4-amino-3-fluorobenzoate
CID 62681353
(4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101048

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 4-amino-3-fluorobenzoate?
The IUPAC name of (4-fluorophenyl)methyl 4-amino-3-fluorobenzoate (CID 62682624) is (4-fluorophenyl)methyl 4-amino-3-fluorobenzoate.
What is the SMILES notation for (4-fluorophenyl)methyl 4-amino-3-fluorobenzoate?
The canonical SMILES for (4-fluorophenyl)methyl 4-amino-3-fluorobenzoate is Nc1ccc(C(=O)OCc2ccc(F)cc2)cc1F.
What is the InChIKey of (4-fluorophenyl)methyl 4-amino-3-fluorobenzoate?
The InChIKey is OZCZPBJRDACNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-11-4-1-9(2-5-11)8-19-14(18)10-3-6-13(17)12(16)7-10/h1-7H,8,17H2.
What are the key properties of (4-fluorophenyl)methyl 4-amino-3-fluorobenzoate?
(4-fluorophenyl)methyl 4-amino-3-fluorobenzoate has a molecular weight of 263.24 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 4-amino-3-fluorobenzoate is sourced from PubChem (CID 62682624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).