propyl 2-amino-6-fluorobenzoate

C10H12FNO2 — CID 43443196

IUPACpropyl 2-amino-6-fluorobenzoate
SMILESCCCOC(=O)c1c(N)cccc1F
InChIInChI=1S/C10H12FNO2/c1-2-6-14-10(13)9-7(11)4-3-5-8(9)12/h3-5H,2,6,12H2,1H3
InChIKeyYMQSRCXPHNFQOE-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.97
Rot. Bonds3

About propyl 2-amino-6-fluorobenzoate

propyl 2-amino-6-fluorobenzoate (PubChem CID 43443196) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is propyl 2-amino-6-fluorobenzoate.

Molecular Properties

Compound Namepropyl 2-amino-6-fluorobenzoate
PubChem CID43443196
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Namepropyl 2-amino-6-fluorobenzoate
SMILESCCCOC(=O)c1c(N)cccc1F
InChIInChI=1S/C10H12FNO2/c1-2-6-14-10(13)9-7(11)4-3-5-8(9)12/h3-5H,2,6,12H2,1H3
InChIKeyYMQSRCXPHNFQOE-UHFFFAOYSA-N
XLogP1.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
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

propyl 2-fluoro-6-methylbenzoate
CID 135122544
propyl 2-chloro-6-fluorobenzoate
CID 43389524
propyl 2-fluoro-6-methoxybenzoate
CID 65433073
4-methylpentyl 2-amino-6-fluorobenzoate
CID 61302884
1-(2-amino-6-fluorophenyl)butan-1-one
CID 58906429
1-(2-amino-6-fluorophenyl)propan-1-one
CID 14773127
butan-2-yl 2-amino-6-fluorobenzoate
CID 60904386
ethyl 2,6-difluorobenzoate
CID 519631
propyl 2-amino-6-(1-methylsulfanylethyl)benzoate
CID 63897839
thiophen-2-ylmethyl 2-amino-6-fluorobenzoate
CID 61233744
butyl 3-amino-2,6-difluorobenzoate
CID 70315596
2-O-butyl 1-O-ethyl 3-fluorobenzene-1,2-dicarboxylate
CID 23502332

Frequently Asked Questions

What is the IUPAC name of propyl 2-amino-6-fluorobenzoate?
The IUPAC name of propyl 2-amino-6-fluorobenzoate (CID 43443196) is propyl 2-amino-6-fluorobenzoate.
What is the SMILES notation for propyl 2-amino-6-fluorobenzoate?
The canonical SMILES for propyl 2-amino-6-fluorobenzoate is CCCOC(=O)c1c(N)cccc1F.
What is the InChIKey of propyl 2-amino-6-fluorobenzoate?
The InChIKey is YMQSRCXPHNFQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-2-6-14-10(13)9-7(11)4-3-5-8(9)12/h3-5H,2,6,12H2,1H3.
What are the key properties of propyl 2-amino-6-fluorobenzoate?
propyl 2-amino-6-fluorobenzoate has a molecular weight of 197.21 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 propyl 2-amino-6-fluorobenzoate is sourced from PubChem (CID 43443196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).