3-fluoropropyl 4-amino-2-fluorobenzoate

C10H11F2NO2 — CID 81113664

IUPAC3-fluoropropyl 4-amino-2-fluorobenzoate
SMILESNc1ccc(C(=O)OCCCF)c(F)c1
InChIInChI=1S/C10H11F2NO2/c11-4-1-5-15-10(14)8-3-2-7(13)6-9(8)12/h2-3,6H,1,4-5,13H2
InChIKeyICCDAERLXSOWKW-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.92
Rot. Bonds4

About 3-fluoropropyl 4-amino-2-fluorobenzoate

3-fluoropropyl 4-amino-2-fluorobenzoate (PubChem CID 81113664) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-fluoropropyl 4-amino-2-fluorobenzoate.

Molecular Properties

Compound Name3-fluoropropyl 4-amino-2-fluorobenzoate
PubChem CID81113664
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name3-fluoropropyl 4-amino-2-fluorobenzoate
SMILESNc1ccc(C(=O)OCCCF)c(F)c1
InChIInChI=1S/C10H11F2NO2/c11-4-1-5-15-10(14)8-3-2-7(13)6-9(8)12/h2-3,6H,1,4-5,13H2
InChIKeyICCDAERLXSOWKW-UHFFFAOYSA-N
XLogP1.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

nonyl 4-amino-2-fluorobenzoate
CID 63450769
3-ethylsulfanylpropyl 4-amino-2-fluorobenzoate
CID 113337903
2-propoxyethyl 4-amino-2-fluorobenzoate
CID 55231855
2-fluoroethyl 5-amino-2-fluorobenzoate
CID 80694649
carbamoyl 4-amino-2-fluorobenzoate
CID 88539668
5-hydroxypentyl 5-amino-2-fluorobenzoate
CID 62227358
3-fluoropropyl 4-amino-3-fluorobenzoate
CID 81114032
3-(dimethylamino)propyl 5-amino-2-fluorobenzoate
CID 114526431
cyclohexylmethyl 4-amino-2-fluorobenzoate
CID 55125027
ethyl 5-amino-2-(3-fluoropropoxy)benzoate
CID 106955925
3-chloropropyl 2,4-diaminobenzoate
CID 19862798
(3-chloro-4-fluorophenyl)methyl 4-amino-2-fluorobenzoate
CID 102979055

Frequently Asked Questions

What is the IUPAC name of 3-fluoropropyl 4-amino-2-fluorobenzoate?
The IUPAC name of 3-fluoropropyl 4-amino-2-fluorobenzoate (CID 81113664) is 3-fluoropropyl 4-amino-2-fluorobenzoate.
What is the SMILES notation for 3-fluoropropyl 4-amino-2-fluorobenzoate?
The canonical SMILES for 3-fluoropropyl 4-amino-2-fluorobenzoate is Nc1ccc(C(=O)OCCCF)c(F)c1.
What is the InChIKey of 3-fluoropropyl 4-amino-2-fluorobenzoate?
The InChIKey is ICCDAERLXSOWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c11-4-1-5-15-10(14)8-3-2-7(13)6-9(8)12/h2-3,6H,1,4-5,13H2.
What are the key properties of 3-fluoropropyl 4-amino-2-fluorobenzoate?
3-fluoropropyl 4-amino-2-fluorobenzoate has a molecular weight of 215.20 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropyl 4-amino-2-fluorobenzoate is sourced from PubChem (CID 81113664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).