butan-2-yl 2-amino-6-fluorobenzoate

C11H14FNO2 — CID 60904386

IUPACbutan-2-yl 2-amino-6-fluorobenzoate
SMILESCCC(C)OC(=O)c1c(N)cccc1F
InChIInChI=1S/C11H14FNO2/c1-3-7(2)15-11(14)10-8(12)5-4-6-9(10)13/h4-7H,3,13H2,1-2H3
InChIKeyFPZHKEJHDJDRQT-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.36
Rot. Bonds3

About butan-2-yl 2-amino-6-fluorobenzoate

butan-2-yl 2-amino-6-fluorobenzoate (PubChem CID 60904386) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is butan-2-yl 2-amino-6-fluorobenzoate.

Molecular Properties

Compound Namebutan-2-yl 2-amino-6-fluorobenzoate
PubChem CID60904386
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Namebutan-2-yl 2-amino-6-fluorobenzoate
SMILESCCC(C)OC(=O)c1c(N)cccc1F
InChIInChI=1S/C11H14FNO2/c1-3-7(2)15-11(14)10-8(12)5-4-6-9(10)13/h4-7H,3,13H2,1-2H3
InChIKeyFPZHKEJHDJDRQT-UHFFFAOYSA-N
XLogP2.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.36
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-methylpentyl 2-amino-6-fluorobenzoate
CID 61302884
propyl 2-amino-6-fluorobenzoate
CID 43443196
1-(2-amino-6-fluorophenyl)propan-1-one
CID 14773127
butan-2-yl 4-amino-2,5-difluorobenzoate
CID 104700517
1-(2-amino-6-fluorophenyl)butan-1-one
CID 58906429
4-methylpentan-2-yl 2-amino-6-ethoxybenzoate
CID 81414693
pentan-2-yl 2-fluoro-6-(trifluoromethyl)benzoate
CID 91730854
ethyl 2,6-difluorobenzoate
CID 519631
2-methylpropyl 2,6-difluorobenzoate
CID 587969
2-amino-6-(butan-2-yloxymethyl)benzoic acid
CID 104825450
thiophen-2-ylmethyl 2-amino-6-fluorobenzoate
CID 61233744
2-(2-amino-6-methylbenzoyl)oxybutanoic acid
CID 64661796

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-amino-6-fluorobenzoate?
The IUPAC name of butan-2-yl 2-amino-6-fluorobenzoate (CID 60904386) is butan-2-yl 2-amino-6-fluorobenzoate.
What is the SMILES notation for butan-2-yl 2-amino-6-fluorobenzoate?
The canonical SMILES for butan-2-yl 2-amino-6-fluorobenzoate is CCC(C)OC(=O)c1c(N)cccc1F.
What is the InChIKey of butan-2-yl 2-amino-6-fluorobenzoate?
The InChIKey is FPZHKEJHDJDRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-3-7(2)15-11(14)10-8(12)5-4-6-9(10)13/h4-7H,3,13H2,1-2H3.
What are the key properties of butan-2-yl 2-amino-6-fluorobenzoate?
butan-2-yl 2-amino-6-fluorobenzoate has a molecular weight of 211.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-amino-6-fluorobenzoate is sourced from PubChem (CID 60904386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).