2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate

C10H11ClFNO3 — CID 146277435

IUPAC2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate
SMILESCNC(=O)OCCOc1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFNO3/c1-13-10(14)16-5-4-15-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyFKAGKRAAPPCNOY-UHFFFAOYSA-N
MW247.65 g/mol
LogP2.21
Rot. Bonds4

About 2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate

2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate (PubChem CID 146277435) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate
PubChem CID146277435
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate
SMILESCNC(=O)OCCOc1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFNO3/c1-13-10(14)16-5-4-15-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyFKAGKRAAPPCNOY-UHFFFAOYSA-N
XLogP2.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate
CID 146277256
4-chloro-1-(4,4-dimethylpentoxy)-2-fluorobenzene
CID 142457826
4-chloro-2-fluoro-1-(fluoromethoxy)benzene
CID 67335232
2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate
CID 175327400
1-(4-chloro-2-fluorophenoxy)propan-2-amine
CID 83396709
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
2-(2-fluorophenoxy)ethyl (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate
CID 18230809
4-[2-(4-chloro-2-fluorophenyl)ethoxy]-5-(methylcarbamoyl)-1H-pyrrole-2-carboxylic acid
CID 174173793
methyl 2-(2-aminoethoxy)-4-chlorobenzoate
CID 139394772
(2R)-2-amino-N-[(1S)-3-(4-chloro-2-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 168920120
2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
CID 139467608
2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate
CID 175387864

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate?
The IUPAC name of 2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate (CID 146277435) is 2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate.
What is the SMILES notation for 2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate?
The canonical SMILES for 2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate is CNC(=O)OCCOc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate?
The InChIKey is FKAGKRAAPPCNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3/c1-13-10(14)16-5-4-15-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate?
2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate has a molecular weight of 247.65 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate is sourced from PubChem (CID 146277435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).