(2-amino-6-fluorophenyl) propanoate

C9H10FNO2 — CID 70075863

IUPAC(2-amino-6-fluorophenyl) propanoate
SMILESCCC(=O)Oc1c(N)cccc1F
InChIInChI=1S/C9H10FNO2/c1-2-8(12)13-9-6(10)4-3-5-7(9)11/h3-5H,2,11H2,1H3
InChIKeyXKNZIYSEIGEPIS-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.72
Rot. Bonds2

About (2-amino-6-fluorophenyl) propanoate

(2-amino-6-fluorophenyl) propanoate (PubChem CID 70075863) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (2-amino-6-fluorophenyl) propanoate.

Molecular Properties

Compound Name(2-amino-6-fluorophenyl) propanoate
PubChem CID70075863
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(2-amino-6-fluorophenyl) propanoate
SMILESCCC(=O)Oc1c(N)cccc1F
InChIInChI=1S/C9H10FNO2/c1-2-8(12)13-9-6(10)4-3-5-7(9)11/h3-5H,2,11H2,1H3
InChIKeyXKNZIYSEIGEPIS-UHFFFAOYSA-N
XLogP1.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-6-fluorophenyl)propan-1-one
CID 14773127
[2-amino-6-[(2,6-dichlorobenzoyl)amino]phenyl] propanoate
CID 66615979
1-(2-amino-6-fluorophenyl)butan-1-one
CID 58906429
(2-amino-6-hydroxyphenyl) pentanoate
CID 91194875
methyl 2-(2-amino-6-fluorophenoxy)propanoate
CID 104831172
(7-fluoro-2-methoxyquinolin-8-yl) propanoate
CID 90871559
ethyl 3-(2-amino-6-fluorophenyl)propanoate
CID 174546302
3-fluoro-2-hexoxyaniline
CID 104831272
[2-[(6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)amino]-6-fluorophenyl] propanoate
CID 87336603
benzene-1,2,3-triamine;pentan-3-one
CID 174675662
N-[(2-amino-6-fluorophenyl)methoxy]propanamide
CID 90192871
2-(2-amino-6-fluorophenoxy)-N-methylpropanamide
CID 104831459

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-fluorophenyl) propanoate?
The IUPAC name of (2-amino-6-fluorophenyl) propanoate (CID 70075863) is (2-amino-6-fluorophenyl) propanoate.
What is the SMILES notation for (2-amino-6-fluorophenyl) propanoate?
The canonical SMILES for (2-amino-6-fluorophenyl) propanoate is CCC(=O)Oc1c(N)cccc1F.
What is the InChIKey of (2-amino-6-fluorophenyl) propanoate?
The InChIKey is XKNZIYSEIGEPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-2-8(12)13-9-6(10)4-3-5-7(9)11/h3-5H,2,11H2,1H3.
What are the key properties of (2-amino-6-fluorophenyl) propanoate?
(2-amino-6-fluorophenyl) propanoate has a molecular weight of 183.18 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-fluorophenyl) propanoate is sourced from PubChem (CID 70075863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).