1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate

C10H11FN2O2 — CID 174585317

IUPAC1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate
SMILESC=CC(OC(N)=O)c1cc(F)ccc1N
InChIInChI=1S/C10H11FN2O2/c1-2-9(15-10(13)14)7-5-6(11)3-4-8(7)12/h2-5,9H,1,12H2,(H2,13,14)
InChIKeyISZUWDYGRMNJIU-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.73
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate

1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate (PubChem CID 174585317) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate
PubChem CID174585317
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate
SMILESC=CC(OC(N)=O)c1cc(F)ccc1N
InChIInChI=1S/C10H11FN2O2/c1-2-9(15-10(13)14)7-5-6(11)3-4-8(7)12/h2-5,9H,1,12H2,(H2,13,14)
InChIKeyISZUWDYGRMNJIU-UHFFFAOYSA-N
XLogP1.73
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate?
The IUPAC name of 1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate (CID 174585317) is 1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate is C=CC(OC(N)=O)c1cc(F)ccc1N.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate?
The InChIKey is ISZUWDYGRMNJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-2-9(15-10(13)14)7-5-6(11)3-4-8(7)12/h2-5,9H,1,12H2,(H2,13,14).
What are the key properties of 1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate?
1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate has a molecular weight of 210.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)prop-2-enyl carbamate is sourced from PubChem (CID 174585317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).