methyl 2-(2-amino-6-fluorophenyl)prop-2-enoate

C10H10FNO2 — CID 174756276

IUPACmethyl 2-(2-amino-6-fluorophenyl)prop-2-enoate
SMILESC=C(C(=O)OC)c1c(N)cccc1F
InChIInChI=1S/C10H10FNO2/c1-6(10(13)14-2)9-7(11)4-3-5-8(9)12/h3-5H,1,12H2,2H3
InChIKeyHENKKVMPIPXVHQ-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.59
Rot. Bonds2

About methyl 2-(2-amino-6-fluorophenyl)prop-2-enoate

methyl 2-(2-amino-6-fluorophenyl)prop-2-enoate (PubChem CID 174756276) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is methyl 2-(2-amino-6-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(2-amino-6-fluorophenyl)prop-2-enoate
PubChem CID174756276
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Namemethyl 2-(2-amino-6-fluorophenyl)prop-2-enoate
SMILESC=C(C(=O)OC)c1c(N)cccc1F
InChIInChI=1S/C10H10FNO2/c1-6(10(13)14-2)9-7(11)4-3-5-8(9)12/h3-5H,1,12H2,2H3
InChIKeyHENKKVMPIPXVHQ-UHFFFAOYSA-N
XLogP1.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-6-fluorophenyl)propan-1-one
CID 14773127
2-amino-6-fluoro-N-hydroxybenzamide
CID 11643995
1-(2-amino-6-fluorophenyl)butan-1-one
CID 58906429
methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate
CID 135442571
propyl 2-amino-6-fluorobenzoate
CID 43443196
butan-2-yl 2-amino-6-fluorobenzoate
CID 60904386
methyl (2E)-2-[2-fluoro-6-(methoxymethyl)phenyl]-2-methoxyiminoacetate
CID 142801369
methyl 2-(2-amino-6-fluorophenoxy)propanoate
CID 104831172
methyl (E)-3-(2-amino-6-fluorophenyl)prop-2-enoate
CID 69423141
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384
1-(2,6-difluorophenyl)-3-methylbut-3-en-1-one
CID 79522478
4-methylpentyl 2-amino-6-fluorobenzoate
CID 61302884

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-6-fluorophenyl)prop-2-enoate?
The IUPAC name of methyl 2-(2-amino-6-fluorophenyl)prop-2-enoate (CID 174756276) is methyl 2-(2-amino-6-fluorophenyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(2-amino-6-fluorophenyl)prop-2-enoate?
The canonical SMILES for methyl 2-(2-amino-6-fluorophenyl)prop-2-enoate is C=C(C(=O)OC)c1c(N)cccc1F.
What is the InChIKey of methyl 2-(2-amino-6-fluorophenyl)prop-2-enoate?
The InChIKey is HENKKVMPIPXVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-6(10(13)14-2)9-7(11)4-3-5-8(9)12/h3-5H,1,12H2,2H3.
What are the key properties of methyl 2-(2-amino-6-fluorophenyl)prop-2-enoate?
methyl 2-(2-amino-6-fluorophenyl)prop-2-enoate has a molecular weight of 195.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-6-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 174756276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).