(4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate

C12H14FNO2 — CID 58611888

IUPAC(4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate
SMILESC=CCN(C)C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c1-3-8-14(2)12(15)16-9-10-4-6-11(13)7-5-10/h3-7H,1,8-9H2,2H3
InChIKeyOXWGNJZOWDHANY-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.58
Rot. Bonds4

About (4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate

(4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate (PubChem CID 58611888) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate
PubChem CID58611888
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate
SMILESC=CCN(C)C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c1-3-8-14(2)12(15)16-9-10-4-6-11(13)7-5-10/h3-7H,1,8-9H2,2H3
InChIKeyOXWGNJZOWDHANY-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate?
The IUPAC name of (4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate (CID 58611888) is (4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate is C=CCN(C)C(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate?
The InChIKey is OXWGNJZOWDHANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-3-8-14(2)12(15)16-9-10-4-6-11(13)7-5-10/h3-7H,1,8-9H2,2H3.
What are the key properties of (4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate?
(4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate has a molecular weight of 223.25 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-methyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 58611888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).