2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate

C11H12ClF2NO3 — CID 113360062

IUPAC2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1F)OCCOCCCl
InChIInChI=1S/C11H12ClF2NO3/c12-3-4-17-5-6-18-11(16)15-10-2-1-8(13)7-9(10)14/h1-2,7H,3-6H2,(H,15,16)
InChIKeyQVMCQEWSLQLOBQ-UHFFFAOYSA-N
MW279.67 g/mol
LogP2.77
Rot. Bonds6

About 2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate

2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate (PubChem CID 113360062) has the molecular formula C11H12ClF2NO3 and a molecular weight of 279.67 g/mol. Its IUPAC name is 2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate.

Molecular Properties

Compound Name2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate
PubChem CID113360062
Molecular FormulaC11H12ClF2NO3
Molecular Weight279.67 g/mol
Exact Mass279.05
IUPAC Name2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1F)OCCOCCCl
InChIInChI=1S/C11H12ClF2NO3/c12-3-4-17-5-6-18-11(16)15-10-2-1-8(13)7-9(10)14/h1-2,7H,3-6H2,(H,15,16)
InChIKeyQVMCQEWSLQLOBQ-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate
CID 79337416
2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate
CID 113360064
1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate
CID 107896058
2-[[3-[2-[(2,4-difluorophenyl)carbamoyloxy]ethyl]phenyl]methyl]propanedioic acid
CID 69005739
1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894556
2-[[3-[2-[(2,4-difluorophenyl)carbamoyloxy]ethyl]-4-methoxyphenyl]methyl]propanedioic acid
CID 69008246
cyclopentyl N-(2,4-difluorophenyl)carbamate
CID 113218545
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
CID 79349865
ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
CID 51178974
2-(2-chloroethoxy)ethyl N-(3-cyanophenyl)carbamate
CID 103970635
N-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546289
2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide
CID 113351033

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate?
The IUPAC name of 2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate (CID 113360062) is 2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate.
What is the SMILES notation for 2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate?
The canonical SMILES for 2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate is O=C(Nc1ccc(F)cc1F)OCCOCCCl.
What is the InChIKey of 2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate?
The InChIKey is QVMCQEWSLQLOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO3/c12-3-4-17-5-6-18-11(16)15-10-2-1-8(13)7-9(10)14/h1-2,7H,3-6H2,(H,15,16).
What are the key properties of 2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate?
2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate has a molecular weight of 279.67 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate is sourced from PubChem (CID 113360062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).