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

C10H10FNO2 — CID 169478768

IUPACmethyl 3-(4-amino-3-fluorophenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(N)c(F)c1
InChIInChI=1S/C10H10FNO2/c1-14-10(13)5-3-7-2-4-9(12)8(11)6-7/h2-6H,12H2,1H3
InChIKeyLZLHRNGLHPINCZ-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.59
Rot. Bonds2

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

methyl 3-(4-amino-3-fluorophenyl)prop-2-enoate (PubChem CID 169478768) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is methyl 3-(4-amino-3-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(4-amino-3-fluorophenyl)prop-2-enoate
PubChem CID169478768
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Namemethyl 3-(4-amino-3-fluorophenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(N)c(F)c1
InChIInChI=1S/C10H10FNO2/c1-14-10(13)5-3-7-2-4-9(12)8(11)6-7/h2-6H,12H2,1H3
InChIKeyLZLHRNGLHPINCZ-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

methyl 3-[4-(aminomethyl)-3-fluorophenyl]prop-2-enoate
CID 169478997
methyl 3-[4-amino-3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 169479669
methyl 3-(4-chloro-3,5-difluorophenyl)prop-2-enoate
CID 169478853
(E)-3-[2-fluoro-5-(3-methoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169479604
3-[2-fluoro-4-(3-methoxy-3-oxoprop-1-enyl)phenyl]propanoic acid
CID 169479605
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
ethane;methyl (E)-3-(3-aminophenyl)prop-2-enoate
CID 144922211
methyl 3-[3-fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
CID 70075367
[2-fluoro-5-(3-methoxy-3-oxoprop-1-enyl)phenyl]methyl 3-(4-fluorophenyl)prop-2-enoate
CID 123748155
methyl 3-[4-(3,5-difluorophenyl)phenyl]prop-2-enoate
CID 77236379
methyl 3-(2-fluoro-4-pyridinyl)prop-2-enoate
CID 169478658
methyl (E)-3-(2-amino-6-fluorophenyl)prop-2-enoate
CID 69423141

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-amino-3-fluorophenyl)prop-2-enoate?
The IUPAC name of methyl 3-(4-amino-3-fluorophenyl)prop-2-enoate (CID 169478768) is methyl 3-(4-amino-3-fluorophenyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(4-amino-3-fluorophenyl)prop-2-enoate?
The canonical SMILES for methyl 3-(4-amino-3-fluorophenyl)prop-2-enoate is COC(=O)C=Cc1ccc(N)c(F)c1.
What is the InChIKey of methyl 3-(4-amino-3-fluorophenyl)prop-2-enoate?
The InChIKey is LZLHRNGLHPINCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-14-10(13)5-3-7-2-4-9(12)8(11)6-7/h2-6H,12H2,1H3.
What are the key properties of methyl 3-(4-amino-3-fluorophenyl)prop-2-enoate?
methyl 3-(4-amino-3-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 3-(4-amino-3-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 169478768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).