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

C10H11ClFNO3 — CID 146277256

IUPAC2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate
SMILESCNC(=O)OCCOc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO3/c1-13-10(14)16-5-4-15-9-3-2-7(12)6-8(9)11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyLXSFBAAWYOAHCG-UHFFFAOYSA-N
MW247.65 g/mol
LogP2.21
Rot. Bonds4

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

2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate (PubChem CID 146277256) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate
PubChem CID146277256
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate
SMILESCNC(=O)OCCOc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO3/c1-13-10(14)16-5-4-15-9-3-2-7(12)6-8(9)11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyLXSFBAAWYOAHCG-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-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate
CID 146277435
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
CID 113102971
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119429515
3-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,1-diethylurea
CID 112977021
2-(2-chloro-4-fluorophenoxy)ethanethiol
CID 79019887
methyl 3-(2-chloro-4-fluorophenoxy)-2,2-dimethylpropanoate
CID 79622181
2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene
CID 63665649

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate (CID 146277256) is 2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate is CNC(=O)OCCOc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate?
The InChIKey is LXSFBAAWYOAHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3/c1-13-10(14)16-5-4-15-9-3-2-7(12)6-8(9)11/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate?
2-(2-chloro-4-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-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate is sourced from PubChem (CID 146277256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).