ethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate

C12H14FNO2 — CID 89317345

IUPACethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate
SMILESCCOC(=O)/N=C(/CC)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c1-3-11(14-12(15)16-4-2)9-5-7-10(13)8-6-9/h5-8H,3-4H2,1-2H3/b14-11-
InChIKeyRXFJOWKVXJGRJL-KAMYIIQDSA-N
MW223.25 g/mol
LogP3.18
Rot. Bonds3

About ethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate

ethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate (PubChem CID 89317345) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is ethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate
PubChem CID89317345
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Nameethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate
SMILESCCOC(=O)/N=C(/CC)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c1-3-11(14-12(15)16-4-2)9-5-7-10(13)8-6-9/h5-8H,3-4H2,1-2H3/b14-11-
InChIKeyRXFJOWKVXJGRJL-KAMYIIQDSA-N
XLogP3.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl (NE)-N-[(3-fluorophenyl)methylidene]carbamate
CID 11579224
tert-butyl (NE)-N-[(2-fluorophenyl)methylidene]carbamate
CID 24874533
tert-butyl (NZ)-N-[(4-fluorophenyl)methylidene]carbamate
CID 135077916
tert-butyl (NE)-N-[(3-fluorophenyl)methylidene]carbamate
CID 135083551
Ethyl 2-[1-(4-fluorophenyl)ethylidene]hydrazinecarboxylate
CID 5333544
Carbamic acid, N-[1-(2,4-difluorophenyl)ethylidenamino]-, ethyl ester
CID 9580430
(4-Fluorobenzylidene)carbamic acid ethyl ester
CID 9581564
tert-butyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate
CID 11218342
[(E)-1-(4-fluorophenyl)ethylideneamino] acetate
CID 71527135
Ethyl 2-[1-(2-fluorophenyl)ethylidene]hydrazine-1-carboxylate
CID 84924062
[(E)-1-(3-fluorophenyl)but-3-enylideneamino] acetate
CID 135072007
3-ethylpentan-3-yl (NE)-N-[(4-fluorophenyl)methylidene]carbamate
CID 135072197

Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate?
The IUPAC name of ethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate (CID 89317345) is ethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate.
What is the SMILES notation for ethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate?
The canonical SMILES for ethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate is CCOC(=O)/N=C(/CC)c1ccc(F)cc1.
What is the InChIKey of ethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate?
The InChIKey is RXFJOWKVXJGRJL-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-3-11(14-12(15)16-4-2)9-5-7-10(13)8-6-9/h5-8H,3-4H2,1-2H3/b14-11-.
What are the key properties of ethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate?
ethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate has a molecular weight of 223.25 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ)-N-[1-(4-fluorophenyl)propylidene]carbamate is sourced from PubChem (CID 89317345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).