methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate

C10H10FNO2 — CID 67214792

IUPACmethyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate
SMILESCOC(=O)/C=C(/N)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3/b9-6+
InChIKeyPBMNTKWQPYMDHA-RMKNXTFCSA-N
MW195.19 g/mol
LogP1.30
Rot. Bonds2

About methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate

methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 67214792) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate
PubChem CID67214792
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Namemethyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate
SMILESCOC(=O)/C=C(/N)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3/b9-6+
InChIKeyPBMNTKWQPYMDHA-RMKNXTFCSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-3-(4-fluorophenyl)-3-phenylsulfanylprop-2-enoate
CID 11312263
(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
CID 102206205
CID 170307924
CID 170307924
ethyl (Z)-3-amino-3-(4-methylphenyl)prop-2-enoate
CID 12021527
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
chloromethane;4-fluorobenzamide
CID 158476805
methyl (E)-3-(4-fluorophenyl)sulfanylpent-2-enoate
CID 121001695
methyl 3-(4-fluorophenyl)sulfanylpent-2-enoate
CID 131865724
methyl (Z)-4-amino-3-(4-chlorophenyl)-4-oxobut-2-enoate
CID 139808821
methyl (Z)-4-amino-2-oxo-4-phenylbut-3-enoate
CID 13165118
methyl (Z)-2-(4-fluorophenyl)-3-hydroxyprop-2-enoate
CID 67828382
methyl 3-[4-[(E)-2-(4-fluorophenyl)-3-hydroxyprop-1-enyl]phenyl]prop-2-enoate
CID 68768999

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate (CID 67214792) is methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate is COC(=O)/C=C(/N)c1ccc(F)cc1.
What is the InChIKey of methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is PBMNTKWQPYMDHA-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3/b9-6+.
What are the key properties of methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate?
methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 195.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 67214792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).